REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1u6z_1_A DATA FIRST_RESID 12 DATA SEQUENCE EFAAVDLGSN SFHMVIARVV DGAMQIIGRL KQRVHLADGL GPDNMLSEEA DATA SEQUENCE MTRGLNCLSL FAERLQGFSP ASVCIVGTHT LRQALNATDF LKRAEKVIPY DATA SEQUENCE PIEIISGNEE ARLIFMGVEH TQPEKGRKLV IDIGGGSTEL VIGENFEPIL DATA SEQUENCE VESRRMGCVS FAQLYFPGGV INKENFQRAR MAAAQKLETL TWQFRIQGWN DATA SEQUENCE VAMGASGTIK AAHEVLMEMG EKDGIITPER LEKLVKEVLR HRNFASLSLP DATA SEQUENCE GLSEERKTVF VPGLAILCGV FDALAIRELR LSDGALREGV LYEMEGRFRH DATA SEQUENCE QDVRSRTASS LANQYHIDSE QARRVLDTTM QMYEQWREQQ PKLAHPQLEA DATA SEQUENCE LLRWAAMLHE VGLNINHSGL HRHSAYILQN SDLPGFNQEQ QLMMATLVRY DATA SEQUENCE HRKAIKLDDL PRFTLFKKKQ FLPLIQLLRL GVLLNNQRQA TTTPPTLTLI DATA SEQUENCE TDDSHWTLRF PHDWFSQNAL VLLDLEKEQE YWEGVAGWRL KIEEESTP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 E HA 0.000 nan 4.350 nan 0.000 0.291 12 E C 0.000 176.626 176.600 0.044 0.000 1.382 12 E CA 0.000 56.336 56.400 -0.107 0.000 0.976 12 E CB 0.000 29.527 29.700 -0.289 0.000 0.812 13 F N 1.104 121.068 119.950 0.023 0.000 2.541 13 F HA 0.995 5.522 4.527 -0.000 0.000 0.331 13 F C -0.221 175.660 175.800 0.136 0.000 1.057 13 F CA -1.254 56.789 58.000 0.071 0.000 0.975 13 F CB 1.428 40.410 39.000 -0.030 0.000 1.246 13 F HN 0.351 nan 8.300 nan 0.000 0.484 14 A N 1.176 124.114 122.820 0.196 0.000 2.455 14 A HA 0.861 5.181 4.320 -0.000 0.000 0.300 14 A C -1.488 176.074 177.584 -0.036 0.000 1.040 14 A CA -0.483 51.526 52.037 -0.047 0.000 0.697 14 A CB 1.117 19.944 19.000 -0.287 0.000 1.265 14 A HN 1.574 nan 8.150 nan 0.000 0.407 15 A N 1.390 124.175 122.820 -0.057 0.000 2.343 15 A HA 0.743 5.063 4.320 -0.000 0.000 0.316 15 A C -0.901 176.650 177.584 -0.054 0.000 1.104 15 A CA -0.489 51.535 52.037 -0.022 0.000 0.768 15 A CB 1.155 20.170 19.000 0.025 0.000 1.213 15 A HN 1.384 nan 8.150 nan 0.000 0.456 16 V N 2.299 122.196 119.914 -0.028 0.000 2.588 16 V HA 0.503 4.623 4.120 -0.000 0.000 0.304 16 V C -1.104 175.018 176.094 0.047 0.000 1.042 16 V CA -0.551 61.752 62.300 0.005 0.000 0.877 16 V CB 1.973 33.808 31.823 0.020 0.000 0.996 16 V HN 0.972 nan 8.190 nan 0.000 0.425 17 D N 4.410 124.872 120.400 0.103 0.000 2.471 17 D HA 0.387 5.027 4.640 -0.000 0.000 0.245 17 D C -0.679 175.634 176.300 0.023 0.000 1.116 17 D CA -0.347 53.717 54.000 0.105 0.000 0.853 17 D CB 1.290 42.212 40.800 0.203 0.000 1.123 17 D HN 0.437 nan 8.370 nan 0.000 0.540 18 L N 4.007 125.133 121.223 -0.162 0.000 2.302 18 L HA 0.550 4.890 4.340 -0.000 0.000 0.285 18 L C 1.181 178.030 176.870 -0.034 0.000 1.090 18 L CA -0.715 53.821 54.840 -0.507 0.000 0.866 18 L CB 0.846 42.455 42.059 -0.749 0.000 1.244 18 L HN 0.430 nan 8.230 nan 0.000 0.435 19 G N 1.057 109.981 108.800 0.207 0.000 2.568 19 G HA2 0.320 4.280 3.960 -0.000 0.000 0.293 19 G HA3 0.320 4.280 3.960 -0.000 0.000 0.293 19 G C 0.625 175.681 174.900 0.260 0.000 1.347 19 G CA -0.310 44.936 45.100 0.243 0.000 1.039 19 G HN 0.463 nan 8.290 nan 0.000 0.523 20 S N -0.487 115.330 115.700 0.195 0.000 2.348 20 S HA -0.081 4.389 4.470 -0.000 0.000 0.219 20 S C 2.061 176.740 174.600 0.131 0.000 1.033 20 S CA 0.771 59.066 58.200 0.158 0.000 0.974 20 S CB -0.196 63.084 63.200 0.134 0.000 0.868 20 S HN 0.586 nan 8.310 nan 0.000 0.459 21 N N 0.209 118.989 118.700 0.133 0.000 2.336 21 N HA 0.164 4.904 4.740 -0.000 0.000 0.177 21 N C 0.016 175.534 175.510 0.013 0.000 1.018 21 N CA 0.490 53.617 53.050 0.130 0.000 0.878 21 N CB 0.325 38.900 38.487 0.146 0.000 0.997 21 N HN 0.151 nan 8.380 nan 0.000 0.433 22 S N -0.458 115.238 115.700 -0.007 0.000 2.588 22 S HA 0.516 4.986 4.470 -0.000 0.000 0.275 22 S C -1.556 172.993 174.600 -0.086 0.000 1.130 22 S CA -0.602 57.493 58.200 -0.174 0.000 0.855 22 S CB 1.436 64.490 63.200 -0.244 0.000 1.116 22 S HN -0.057 nan 8.310 nan 0.000 0.472 23 F N 2.214 121.949 119.950 -0.358 0.000 2.420 23 F HA 0.505 5.032 4.527 -0.000 0.000 0.342 23 F C 0.375 176.080 175.800 -0.158 0.000 1.113 23 F CA -0.867 57.009 58.000 -0.206 0.000 1.059 23 F CB 0.916 39.817 39.000 -0.165 0.000 1.128 23 F HN 0.540 nan 8.300 nan 0.000 0.475 24 H N 2.549 121.874 119.070 0.424 0.000 2.622 24 H HA 0.677 5.233 4.556 -0.000 0.000 0.363 24 H C -0.553 174.837 175.328 0.103 0.000 1.151 24 H CA -0.842 55.361 56.048 0.259 0.000 1.184 24 H CB 2.714 32.559 29.762 0.138 0.000 1.643 24 H HN 0.602 nan 8.280 nan 0.000 0.531 25 M N 2.936 122.534 119.600 -0.003 0.000 2.446 25 M HA 0.569 5.049 4.480 -0.000 0.000 0.294 25 M C -1.930 174.265 176.300 -0.173 0.000 1.158 25 M CA -1.040 54.105 55.300 -0.258 0.000 0.899 25 M CB 2.298 34.413 32.600 -0.808 0.000 1.687 25 M HN 0.507 nan 8.290 nan 0.000 0.455 26 V N 5.736 125.557 119.914 -0.155 0.000 2.709 26 V HA 0.663 4.783 4.120 -0.000 0.000 0.308 26 V C -1.451 174.540 176.094 -0.173 0.000 1.062 26 V CA -0.500 61.721 62.300 -0.132 0.000 0.901 26 V CB 2.254 34.032 31.823 -0.075 0.000 1.003 26 V HN 0.889 nan 8.190 nan 0.000 0.425 27 I N 5.864 126.328 120.570 -0.177 0.000 2.530 27 I HA 0.936 5.106 4.170 -0.000 0.000 0.297 27 I C 0.136 176.119 176.117 -0.224 0.000 1.011 27 I CA -0.160 61.031 61.300 -0.182 0.000 1.107 27 I CB 1.966 39.881 38.000 -0.141 0.000 1.285 27 I HN 0.856 nan 8.210 nan 0.000 0.436 28 A N 5.195 127.791 122.820 -0.373 0.000 2.609 28 A HA 0.947 5.267 4.320 -0.000 0.000 0.291 28 A C -1.087 176.103 177.584 -0.656 0.000 1.096 28 A CA -0.801 50.934 52.037 -0.505 0.000 0.684 28 A CB 1.896 20.524 19.000 -0.620 0.000 1.282 28 A HN 0.788 nan 8.150 nan 0.000 0.412 29 R N -0.528 119.703 120.500 -0.449 0.000 2.905 29 R HA 0.885 5.225 4.340 -0.000 0.000 0.260 29 R C -1.825 174.378 176.300 -0.161 0.000 1.086 29 R CA -0.799 55.125 56.100 -0.293 0.000 0.978 29 R CB 1.587 31.800 30.300 -0.145 0.000 1.215 29 R HN 0.447 nan 8.270 nan 0.000 0.480 30 V N 1.445 121.357 119.914 -0.004 0.000 2.540 30 V HA 0.501 4.621 4.120 -0.000 0.000 0.302 30 V C -0.951 175.147 176.094 0.006 0.000 1.035 30 V CA -0.634 61.684 62.300 0.029 0.000 0.873 30 V CB 1.949 33.833 31.823 0.101 0.000 0.992 30 V HN 0.574 nan 8.190 nan 0.000 0.428 31 V N 3.392 123.305 119.914 -0.002 0.000 2.525 31 V HA 0.496 4.616 4.120 -0.000 0.000 0.299 31 V C -0.118 175.978 176.094 0.004 0.000 1.034 31 V CA -0.722 61.576 62.300 -0.004 0.000 0.863 31 V CB 1.536 33.352 31.823 -0.011 0.000 0.999 31 V HN 0.898 nan 8.190 nan 0.000 0.423 32 D N 3.701 124.103 120.400 0.004 0.000 2.911 32 D HA -0.203 4.437 4.640 -0.000 0.000 0.227 32 D C 1.373 177.680 176.300 0.013 0.000 1.164 32 D CA 2.185 56.189 54.000 0.008 0.000 0.782 32 D CB -1.166 39.638 40.800 0.008 0.000 1.094 32 D HN 1.568 nan 8.370 nan 0.000 0.425 33 G N -1.585 107.223 108.800 0.013 0.000 2.217 33 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.246 33 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.246 33 G C 0.430 175.347 174.900 0.028 0.000 0.990 33 G CA 0.528 45.639 45.100 0.018 0.000 0.627 33 G HN 1.249 nan 8.290 nan 0.000 0.522 34 A N 0.575 123.411 122.820 0.028 0.000 2.309 34 A HA 0.819 5.139 4.320 -0.000 0.000 0.298 34 A C 0.433 178.027 177.584 0.017 0.000 1.165 34 A CA -0.004 52.055 52.037 0.037 0.000 0.821 34 A CB 0.239 19.260 19.000 0.035 0.000 1.102 34 A HN 0.685 nan 8.150 nan 0.000 0.500 35 M N 1.658 121.269 119.600 0.019 0.000 2.242 35 M HA 0.450 4.930 4.480 -0.000 0.000 0.344 35 M C 0.108 176.380 176.300 -0.046 0.000 1.140 35 M CA 0.477 55.741 55.300 -0.061 0.000 1.160 35 M CB 0.368 32.919 32.600 -0.081 0.000 1.491 35 M HN 0.685 nan 8.290 nan 0.000 0.459 36 Q N 1.496 121.232 119.800 -0.107 0.000 2.280 36 Q HA 0.587 4.927 4.340 -0.000 0.000 0.259 36 Q C -1.650 174.273 176.000 -0.127 0.000 0.964 36 Q CA -0.749 55.005 55.803 -0.082 0.000 0.844 36 Q CB 1.234 29.940 28.738 -0.054 0.000 1.334 36 Q HN 0.576 nan 8.270 nan 0.000 0.423 37 I N 4.267 124.781 120.570 -0.093 0.000 2.441 37 I HA 0.121 4.291 4.170 -0.000 0.000 0.287 37 I C 0.849 176.914 176.117 -0.086 0.000 1.049 37 I CA -0.127 61.110 61.300 -0.104 0.000 1.381 37 I CB 0.437 38.398 38.000 -0.065 0.000 1.409 37 I HN 0.906 nan 8.210 nan 0.000 0.523 38 I N 3.961 124.471 120.570 -0.100 0.000 2.810 38 I HA 0.203 4.373 4.170 -0.000 0.000 0.262 38 I C 1.083 177.166 176.117 -0.057 0.000 1.131 38 I CA 0.395 61.653 61.300 -0.071 0.000 1.453 38 I CB 0.457 38.417 38.000 -0.068 0.000 1.161 38 I HN 0.720 nan 8.210 nan 0.000 0.444 39 G N 0.627 109.383 108.800 -0.072 0.000 2.673 39 G HA2 0.651 4.611 3.960 -0.000 0.000 0.292 39 G HA3 0.651 4.611 3.960 -0.000 0.000 0.292 39 G C -1.377 173.473 174.900 -0.083 0.000 1.450 39 G CA -0.663 44.396 45.100 -0.067 0.000 0.837 39 G HN -0.081 nan 8.290 nan 0.000 0.505 40 R N -0.436 120.025 120.500 -0.064 0.000 2.686 40 R HA 0.713 5.053 4.340 -0.000 0.000 0.283 40 R C -1.676 174.594 176.300 -0.050 0.000 0.978 40 R CA -0.837 55.227 56.100 -0.060 0.000 0.897 40 R CB 2.631 32.918 30.300 -0.022 0.000 1.192 40 R HN 0.370 nan 8.270 nan 0.000 0.457 41 L N 1.606 122.788 121.223 -0.069 0.000 2.401 41 L HA 0.554 4.894 4.340 -0.000 0.000 0.266 41 L C -1.300 175.641 176.870 0.118 0.000 0.991 41 L CA -0.453 54.374 54.840 -0.021 0.000 0.818 41 L CB 1.965 43.923 42.059 -0.168 0.000 1.321 41 L HN 0.590 nan 8.230 nan 0.000 0.413 42 K N 2.993 123.515 120.400 0.203 0.000 2.535 42 K HA 0.573 4.893 4.320 -0.000 0.000 0.251 42 K C -1.810 174.886 176.600 0.161 0.000 0.942 42 K CA -0.574 55.851 56.287 0.229 0.000 0.798 42 K CB 1.905 34.530 32.500 0.208 0.000 1.267 42 K HN 0.623 nan 8.250 nan 0.000 0.434 43 Q N 2.952 122.806 119.800 0.089 0.000 2.274 43 Q HA 0.257 4.597 4.340 -0.000 0.000 0.268 43 Q C -1.064 174.817 176.000 -0.199 0.000 1.015 43 Q CA -0.833 54.935 55.803 -0.058 0.000 0.775 43 Q CB 1.201 29.873 28.738 -0.111 0.000 1.256 43 Q HN 0.533 nan 8.270 nan 0.000 0.442 44 R N 4.123 124.489 120.500 -0.222 0.000 2.605 44 R HA 0.069 4.409 4.340 -0.000 0.000 0.271 44 R C -0.424 175.518 176.300 -0.597 0.000 1.418 44 R CA 0.118 55.997 56.100 -0.368 0.000 1.102 44 R CB -0.595 29.524 30.300 -0.302 0.000 1.131 44 R HN 0.490 nan 8.270 nan 0.000 0.554 45 V N 1.853 121.404 119.914 -0.604 0.000 2.649 45 V HA -0.108 4.012 4.120 -0.000 0.000 0.248 45 V C 0.318 176.137 176.094 -0.459 0.000 1.054 45 V CA 1.078 62.990 62.300 -0.646 0.000 1.073 45 V CB -1.100 30.062 31.823 -1.100 0.000 0.699 45 V HN 1.024 nan 8.190 nan 0.000 0.463 46 H N -2.202 116.737 119.070 -0.218 0.000 2.819 46 H HA -0.183 4.373 4.556 -0.000 0.000 0.323 46 H C 1.030 176.280 175.328 -0.130 0.000 1.243 46 H CA 0.133 56.107 56.048 -0.123 0.000 1.163 46 H CB -1.394 28.318 29.762 -0.084 0.000 1.493 46 H HN 0.266 nan 8.280 nan 0.000 0.434 47 L N 0.606 121.795 121.223 -0.056 0.000 2.017 47 L HA -0.058 4.282 4.340 -0.000 0.000 0.208 47 L C 2.484 179.348 176.870 -0.009 0.000 1.073 47 L CA 2.241 57.039 54.840 -0.070 0.000 0.745 47 L CB -0.677 41.367 42.059 -0.024 0.000 0.894 47 L HN 0.591 nan 8.230 nan 0.000 0.432 48 A N -1.236 121.612 122.820 0.048 0.000 2.070 48 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 48 A C 1.895 179.506 177.584 0.046 0.000 1.159 48 A CA 1.765 53.842 52.037 0.066 0.000 0.656 48 A CB -0.720 18.342 19.000 0.104 0.000 0.800 48 A HN 0.494 nan 8.150 nan 0.000 0.453 49 D N -0.305 120.116 120.400 0.035 0.000 2.178 49 D HA -0.043 4.597 4.640 -0.000 0.000 0.202 49 D C 1.980 178.282 176.300 0.003 0.000 0.974 49 D CA 1.379 55.384 54.000 0.009 0.000 0.841 49 D CB -0.433 40.355 40.800 -0.019 0.000 0.953 49 D HN 0.428 nan 8.370 nan 0.000 0.478 50 G N -0.328 108.471 108.800 -0.002 0.000 2.744 50 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.211 50 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.211 50 G C 0.493 175.388 174.900 -0.008 0.000 1.143 50 G CA -0.219 44.874 45.100 -0.011 0.000 0.788 50 G HN 0.132 nan 8.290 nan 0.000 0.534 51 L N 1.798 123.022 121.223 0.003 0.000 2.360 51 L HA 0.637 4.977 4.340 -0.000 0.000 0.276 51 L C 0.787 177.666 176.870 0.014 0.000 1.121 51 L CA -0.072 54.774 54.840 0.010 0.000 0.845 51 L CB 0.969 43.045 42.059 0.029 0.000 1.143 51 L HN 0.023 nan 8.230 nan 0.000 0.452 52 G N 4.125 112.930 108.800 0.008 0.000 3.107 52 G HA2 0.480 4.440 3.960 -0.000 0.000 0.232 52 G HA3 0.480 4.440 3.960 -0.000 0.000 0.232 52 G C -2.077 172.827 174.900 0.006 0.000 1.339 52 G CA -0.556 44.547 45.100 0.006 0.000 1.033 52 G HN 0.486 nan 8.290 nan 0.000 0.567 53 P HA -0.070 nan 4.420 nan 0.000 0.214 53 P C 0.982 178.282 177.300 -0.000 0.000 1.163 53 P CA 1.753 64.851 63.100 -0.002 0.000 0.889 53 P CB -0.032 31.665 31.700 -0.007 0.000 0.790 54 D N -2.249 118.150 120.400 -0.001 0.000 2.371 54 D HA -0.078 4.562 4.640 -0.000 0.000 0.234 54 D C 0.143 176.442 176.300 -0.001 0.000 1.049 54 D CA 0.047 54.047 54.000 -0.001 0.000 0.907 54 D CB -1.262 39.537 40.800 -0.001 0.000 0.891 54 D HN 0.021 nan 8.370 nan 0.000 0.531 55 N N -0.468 118.233 118.700 0.001 0.000 2.747 55 N HA -0.145 4.595 4.740 -0.000 0.000 0.249 55 N C -0.833 174.674 175.510 -0.006 0.000 1.107 55 N CA 0.655 53.704 53.050 -0.002 0.000 0.707 55 N CB -0.794 37.689 38.487 -0.007 0.000 1.054 55 N HN 0.370 nan 8.380 nan 0.000 0.555 56 M N 0.870 120.468 119.600 -0.003 0.000 2.180 56 M HA 0.336 4.816 4.480 -0.000 0.000 0.350 56 M C 0.629 176.925 176.300 -0.007 0.000 1.125 56 M CA -0.530 54.769 55.300 -0.002 0.000 1.031 56 M CB 1.199 33.801 32.600 0.003 0.000 1.623 56 M HN -0.008 nan 8.290 nan 0.000 0.451 57 L N 2.597 123.812 121.223 -0.014 0.000 2.455 57 L HA 0.084 4.423 4.340 -0.000 0.000 0.272 57 L C 1.087 177.950 176.870 -0.011 0.000 1.174 57 L CA -0.112 54.709 54.840 -0.031 0.000 0.869 57 L CB 0.589 42.604 42.059 -0.074 0.000 1.130 57 L HN 0.839 nan 8.230 nan 0.000 0.474 58 S N 1.450 117.143 115.700 -0.013 0.000 2.593 58 S HA 0.026 4.496 4.470 -0.000 0.000 0.269 58 S C 0.876 175.481 174.600 0.009 0.000 1.334 58 S CA -0.511 57.688 58.200 -0.001 0.000 1.015 58 S CB 1.441 64.639 63.200 -0.003 0.000 0.912 58 S HN 0.673 nan 8.310 nan 0.000 0.541 59 E N 0.786 120.996 120.200 0.017 0.000 2.204 59 E HA -0.114 4.236 4.350 -0.000 0.000 0.195 59 E C 1.749 178.364 176.600 0.025 0.000 0.990 59 E CA 1.520 57.937 56.400 0.028 0.000 0.821 59 E CB -0.139 29.576 29.700 0.024 0.000 0.750 59 E HN 0.741 nan 8.360 nan 0.000 0.477 60 E N -0.326 119.881 120.200 0.011 0.000 2.072 60 E HA -0.099 4.251 4.350 -0.000 0.000 0.190 60 E C 2.006 178.604 176.600 -0.003 0.000 0.982 60 E CA 0.983 57.386 56.400 0.006 0.000 0.803 60 E CB -0.224 29.477 29.700 0.002 0.000 0.755 60 E HN 0.343 nan 8.360 nan 0.000 0.453 61 A N 1.217 124.029 122.820 -0.014 0.000 1.930 61 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 61 A C 2.221 179.777 177.584 -0.047 0.000 1.175 61 A CA 1.136 53.145 52.037 -0.046 0.000 0.627 61 A CB -0.408 18.555 19.000 -0.061 0.000 0.815 61 A HN 0.118 nan 8.150 nan 0.000 0.443 62 M N -1.046 118.559 119.600 0.009 0.000 2.132 62 M HA -0.117 4.363 4.480 -0.000 0.000 0.263 62 M C 2.267 178.684 176.300 0.195 0.000 1.065 62 M CA 1.840 57.228 55.300 0.146 0.000 1.122 62 M CB -0.620 32.103 32.600 0.205 0.000 1.365 62 M HN 0.429 nan 8.290 nan 0.000 0.411 63 T N 0.207 114.815 114.554 0.091 0.000 2.684 63 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 63 T C 1.800 176.517 174.700 0.028 0.000 1.036 63 T CA 1.254 63.388 62.100 0.056 0.000 1.148 63 T CB -0.259 68.625 68.868 0.027 0.000 0.863 63 T HN 0.362 nan 8.240 nan 0.000 0.436 64 R N 0.287 120.780 120.500 -0.011 0.000 2.096 64 R HA -0.096 4.244 4.340 -0.000 0.000 0.240 64 R C 2.824 179.060 176.300 -0.107 0.000 1.139 64 R CA 1.539 57.593 56.100 -0.076 0.000 0.952 64 R CB -0.788 29.441 30.300 -0.119 0.000 0.854 64 R HN 0.457 nan 8.270 nan 0.000 0.436 65 G N 0.782 109.558 108.800 -0.041 0.000 2.408 65 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.217 65 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.217 65 G C 1.462 176.507 174.900 0.242 0.000 1.150 65 G CA 0.213 45.351 45.100 0.063 0.000 0.776 65 G HN 0.123 nan 8.290 nan 0.000 0.542 66 L N 0.162 121.511 121.223 0.210 0.000 2.141 66 L HA -0.057 4.283 4.340 -0.000 0.000 0.209 66 L C 2.597 179.478 176.870 0.018 0.000 1.094 66 L CA 0.948 55.836 54.840 0.079 0.000 0.763 66 L CB -0.434 41.650 42.059 0.042 0.000 0.908 66 L HN 0.290 nan 8.230 nan 0.000 0.437 67 N N -1.055 117.643 118.700 -0.003 0.000 2.244 67 N HA -0.198 4.542 4.740 -0.000 0.000 0.183 67 N C 2.002 177.473 175.510 -0.065 0.000 1.016 67 N CA 1.153 54.184 53.050 -0.032 0.000 0.866 67 N CB -0.085 38.377 38.487 -0.041 0.000 0.980 67 N HN 0.376 nan 8.380 nan 0.000 0.430 68 C N 0.600 119.826 119.300 -0.123 0.000 2.486 68 C HA 0.125 4.585 4.460 -0.000 0.000 0.279 68 C C 2.366 177.180 174.990 -0.292 0.000 1.302 68 C CA 0.159 59.017 59.018 -0.267 0.000 1.720 68 C CB -1.063 26.432 27.740 -0.409 0.000 2.030 68 C HN 0.378 nan 8.230 nan 0.000 0.490 69 L N 1.860 123.023 121.223 -0.100 0.000 2.201 69 L HA -0.079 4.261 4.340 -0.000 0.000 0.212 69 L C 2.896 179.806 176.870 0.066 0.000 1.105 69 L CA 1.808 56.652 54.840 0.006 0.000 0.775 69 L CB -0.531 41.560 42.059 0.054 0.000 0.913 69 L HN 0.592 nan 8.230 nan 0.000 0.440 70 S N -0.000 115.715 115.700 0.026 0.000 2.402 70 S HA -0.188 4.282 4.470 -0.000 0.000 0.229 70 S C 1.937 176.582 174.600 0.075 0.000 1.021 70 S CA 0.911 59.135 58.200 0.041 0.000 0.974 70 S CB -0.498 62.711 63.200 0.015 0.000 0.800 70 S HN 0.383 nan 8.310 nan 0.000 0.484 71 L N -0.445 120.823 121.223 0.075 0.000 2.109 71 L HA 0.183 4.523 4.340 -0.000 0.000 0.207 71 L C 2.136 179.169 176.870 0.271 0.000 1.086 71 L CA 1.284 56.200 54.840 0.128 0.000 0.760 71 L CB -0.414 41.702 42.059 0.095 0.000 0.910 71 L HN 0.177 nan 8.230 nan 0.000 0.437 72 F N 0.249 120.218 119.950 0.032 0.000 2.146 72 F HA -0.092 4.435 4.527 -0.000 0.000 0.298 72 F C 2.607 178.412 175.800 0.008 0.000 1.096 72 F CA 0.748 58.757 58.000 0.015 0.000 1.275 72 F CB -1.432 37.592 39.000 0.040 0.000 1.008 72 F HN 0.190 nan 8.300 nan 0.000 0.480 73 A N -0.432 122.530 122.820 0.235 0.000 1.969 73 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 73 A C 2.190 179.841 177.584 0.113 0.000 1.169 73 A CA 1.456 53.595 52.037 0.171 0.000 0.635 73 A CB -0.704 18.369 19.000 0.121 0.000 0.810 73 A HN 0.398 nan 8.150 nan 0.000 0.445 74 E N -0.801 119.458 120.200 0.099 0.000 2.058 74 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 74 E C 2.299 178.930 176.600 0.051 0.000 0.997 74 E CA 1.384 57.827 56.400 0.071 0.000 0.801 74 E CB -0.116 29.624 29.700 0.067 0.000 0.746 74 E HN 0.467 nan 8.360 nan 0.000 0.450 75 R N 0.958 121.474 120.500 0.027 0.000 2.120 75 R HA -0.056 4.284 4.340 -0.000 0.000 0.234 75 R C 1.678 177.905 176.300 -0.121 0.000 1.123 75 R CA 1.067 57.142 56.100 -0.043 0.000 0.975 75 R CB -0.209 30.033 30.300 -0.097 0.000 0.866 75 R HN 0.142 nan 8.270 nan 0.000 0.446 76 L N 1.213 122.346 121.223 -0.149 0.000 2.685 76 L HA 0.192 4.531 4.340 -0.000 0.000 0.233 76 L C 0.537 177.484 176.870 0.128 0.000 1.173 76 L CA -0.335 54.324 54.840 -0.301 0.000 0.961 76 L CB -0.183 41.668 42.059 -0.347 0.000 1.217 76 L HN 0.279 nan 8.230 nan 0.000 0.478 77 Q N 1.328 121.221 119.800 0.155 0.000 2.263 77 Q HA 0.009 4.349 4.340 -0.000 0.000 0.289 77 Q C 1.053 177.215 176.000 0.272 0.000 1.061 77 Q CA 1.445 57.362 55.803 0.189 0.000 0.927 77 Q CB 0.821 29.631 28.738 0.119 0.000 1.154 77 Q HN 0.499 nan 8.270 nan 0.000 0.378 78 G N 4.046 112.997 108.800 0.251 0.000 2.241 78 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.244 78 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.244 78 G C -0.226 174.817 174.900 0.239 0.000 0.998 78 G CA -0.016 45.207 45.100 0.205 0.000 0.621 78 G HN 0.552 nan 8.290 nan 0.000 0.519 79 F N 3.010 123.036 119.950 0.127 0.000 2.538 79 F HA 0.494 5.021 4.527 -0.000 0.000 0.371 79 F C 1.476 177.394 175.800 0.196 0.000 1.087 79 F CA -0.011 58.050 58.000 0.100 0.000 1.250 79 F CB 1.104 40.102 39.000 -0.004 0.000 1.110 79 F HN 0.320 nan 8.300 nan 0.000 0.570 80 S N 4.541 120.369 115.700 0.213 0.000 2.592 80 S HA 0.274 4.744 4.470 -0.000 0.000 0.271 80 S C -1.868 172.910 174.600 0.296 0.000 1.326 80 S CA -1.148 57.182 58.200 0.218 0.000 1.024 80 S CB 1.379 64.635 63.200 0.093 0.000 0.921 80 S HN 0.372 nan 8.310 nan 0.000 0.527 81 P HA -0.115 nan 4.420 nan 0.000 0.217 81 P C 1.421 178.821 177.300 0.167 0.000 1.148 81 P CA 1.994 65.301 63.100 0.344 0.000 0.834 81 P CB -0.215 31.620 31.700 0.225 0.000 0.783 82 A N -1.053 121.831 122.820 0.106 0.000 2.067 82 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 82 A C 2.016 179.611 177.584 0.020 0.000 1.158 82 A CA 1.551 53.615 52.037 0.044 0.000 0.661 82 A CB -1.067 17.944 19.000 0.019 0.000 0.801 82 A HN 0.153 nan 8.150 nan 0.000 0.452 83 S N -0.914 114.818 115.700 0.054 0.000 2.605 83 S HA 0.345 4.815 4.470 -0.000 0.000 0.217 83 S C -0.049 174.628 174.600 0.127 0.000 0.958 83 S CA -0.008 58.251 58.200 0.099 0.000 0.919 83 S CB 0.076 63.331 63.200 0.091 0.000 0.780 83 S HN 0.200 nan 8.310 nan 0.000 0.507 84 V N 0.828 120.735 119.914 -0.012 0.000 2.760 84 V HA 0.457 4.576 4.120 -0.000 0.000 0.309 84 V C -0.751 175.294 176.094 -0.081 0.000 1.077 84 V CA -1.078 61.133 62.300 -0.148 0.000 0.910 84 V CB 1.645 33.083 31.823 -0.642 0.000 1.008 84 V HN 0.298 nan 8.190 nan 0.000 0.424 85 C N 6.717 125.985 119.300 -0.052 0.000 2.364 85 C HA 0.735 5.195 4.460 -0.000 0.000 0.324 85 C C -0.578 174.408 174.990 -0.008 0.000 1.234 85 C CA -0.359 58.653 59.018 -0.010 0.000 1.417 85 C CB -0.305 27.440 27.740 0.009 0.000 2.101 85 C HN 0.825 nan 8.230 nan 0.000 0.466 86 I N 7.263 127.842 120.570 0.015 0.000 2.362 86 I HA 0.496 4.666 4.170 -0.000 0.000 0.289 86 I C 0.085 176.214 176.117 0.020 0.000 0.994 86 I CA -0.411 60.900 61.300 0.018 0.000 1.158 86 I CB 1.549 39.572 38.000 0.039 0.000 1.315 86 I HN 0.590 nan 8.210 nan 0.000 0.451 87 V N 2.549 122.473 119.914 0.016 0.000 2.769 87 V HA 0.982 5.102 4.120 -0.000 0.000 0.312 87 V C 0.076 176.174 176.094 0.007 0.000 1.058 87 V CA -0.451 61.864 62.300 0.025 0.000 0.952 87 V CB 1.606 33.455 31.823 0.044 0.000 1.019 87 V HN 0.771 nan 8.190 nan 0.000 0.445 88 G N 1.468 110.281 108.800 0.022 0.000 2.495 88 G HA2 0.703 4.663 3.960 -0.000 0.000 0.318 88 G HA3 0.703 4.663 3.960 -0.000 0.000 0.318 88 G C -0.227 174.701 174.900 0.046 0.000 1.257 88 G CA 0.105 45.217 45.100 0.020 0.000 0.962 88 G HN 1.285 nan 8.290 nan 0.000 0.483 89 T N -1.149 113.442 114.554 0.062 0.000 2.628 89 T HA 0.251 4.601 4.350 -0.000 0.000 0.223 89 T C 1.504 176.261 174.700 0.095 0.000 0.959 89 T CA 0.325 62.478 62.100 0.088 0.000 1.113 89 T CB 0.096 69.032 68.868 0.113 0.000 2.140 89 T HN 0.535 nan 8.240 nan 0.000 0.516 90 H N 0.726 119.824 119.070 0.047 0.000 2.292 90 H HA -0.132 4.424 4.556 -0.000 0.000 0.292 90 H C 2.057 177.406 175.328 0.036 0.000 1.100 90 H CA 3.071 59.143 56.048 0.040 0.000 1.238 90 H CB -0.883 28.902 29.762 0.039 0.000 1.355 90 H HN 0.548 nan 8.280 nan 0.000 0.484 91 T N 0.517 115.144 114.554 0.121 0.000 2.708 91 T HA -0.117 4.233 4.350 -0.000 0.000 0.266 91 T C 2.190 176.859 174.700 -0.050 0.000 1.037 91 T CA 1.497 63.622 62.100 0.042 0.000 1.146 91 T CB -0.291 68.640 68.868 0.105 0.000 0.865 91 T HN 0.251 nan 8.240 nan 0.000 0.435 92 L N 0.167 121.379 121.223 -0.018 0.000 2.291 92 L HA 0.043 4.383 4.340 -0.000 0.000 0.214 92 L C 2.821 179.671 176.870 -0.033 0.000 1.120 92 L CA 0.853 55.683 54.840 -0.016 0.000 0.799 92 L CB -0.337 41.740 42.059 0.029 0.000 0.925 92 L HN 0.144 nan 8.230 nan 0.000 0.446 93 R N -0.396 120.064 120.500 -0.066 0.000 2.092 93 R HA -0.125 4.215 4.340 -0.000 0.000 0.231 93 R C 2.033 178.262 176.300 -0.118 0.000 1.119 93 R CA 0.997 57.049 56.100 -0.081 0.000 0.970 93 R CB -0.027 30.221 30.300 -0.087 0.000 0.864 93 R HN 0.394 nan 8.270 nan 0.000 0.440 94 Q N -0.416 119.264 119.800 -0.199 0.000 2.402 94 Q HA 0.189 4.528 4.340 -0.000 0.000 0.206 94 Q C 0.297 176.242 176.000 -0.093 0.000 0.919 94 Q CA 0.220 55.917 55.803 -0.177 0.000 0.923 94 Q CB 0.546 29.104 28.738 -0.299 0.000 1.048 94 Q HN 0.138 nan 8.270 nan 0.000 0.515 95 A N 1.473 124.249 122.820 -0.074 0.000 2.492 95 A HA 0.183 4.503 4.320 -0.000 0.000 0.254 95 A C 1.057 178.628 177.584 -0.021 0.000 1.091 95 A CA -0.078 51.936 52.037 -0.040 0.000 0.768 95 A CB 0.039 19.016 19.000 -0.038 0.000 1.028 95 A HN 0.313 nan 8.150 nan 0.000 0.498 96 L N 1.773 122.988 121.223 -0.014 0.000 2.376 96 L HA -0.078 4.262 4.340 -0.000 0.000 0.219 96 L C 1.199 178.073 176.870 0.007 0.000 1.133 96 L CA 0.882 55.719 54.840 -0.006 0.000 0.816 96 L CB -0.302 41.754 42.059 -0.005 0.000 0.933 96 L HN 0.942 nan 8.230 nan 0.000 0.449 97 N N -0.519 118.191 118.700 0.016 0.000 2.328 97 N HA 0.109 4.849 4.740 -0.000 0.000 0.247 97 N C 1.069 176.620 175.510 0.069 0.000 1.165 97 N CA 0.443 53.515 53.050 0.037 0.000 0.873 97 N CB 0.209 38.720 38.487 0.040 0.000 1.125 97 N HN -0.003 nan 8.380 nan 0.000 0.513 98 A N 0.720 123.574 122.820 0.056 0.000 1.917 98 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 98 A C 2.134 179.796 177.584 0.130 0.000 1.182 98 A CA 2.095 54.188 52.037 0.095 0.000 0.633 98 A CB -1.236 17.796 19.000 0.054 0.000 0.819 98 A HN 0.360 nan 8.150 nan 0.000 0.448 99 T N -0.295 114.305 114.554 0.075 0.000 2.720 99 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 99 T C 1.729 176.469 174.700 0.068 0.000 1.037 99 T CA 1.701 63.835 62.100 0.058 0.000 1.144 99 T CB -0.414 68.471 68.868 0.028 0.000 0.864 99 T HN 0.651 nan 8.240 nan 0.000 0.444 100 D N 0.321 120.770 120.400 0.082 0.000 2.117 100 D HA -0.105 4.535 4.640 -0.000 0.000 0.197 100 D C 1.764 178.132 176.300 0.113 0.000 0.987 100 D CA 0.828 54.876 54.000 0.081 0.000 0.829 100 D CB -0.355 40.493 40.800 0.080 0.000 0.961 100 D HN 0.348 nan 8.370 nan 0.000 0.460 101 F N 0.960 120.920 119.950 0.017 0.000 2.102 101 F HA -0.063 4.464 4.527 -0.000 0.000 0.298 101 F C 2.081 177.894 175.800 0.022 0.000 1.105 101 F CA 1.156 59.171 58.000 0.026 0.000 1.239 101 F CB -0.338 38.685 39.000 0.039 0.000 0.991 101 F HN -0.037 nan 8.300 nan 0.000 0.474 102 L N 0.101 121.329 121.223 0.008 0.000 2.042 102 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 102 L C 2.480 179.274 176.870 -0.126 0.000 1.076 102 L CA 2.024 56.813 54.840 -0.084 0.000 0.749 102 L CB -0.975 41.097 42.059 0.021 0.000 0.893 102 L HN 0.146 nan 8.230 nan 0.000 0.432 103 K N 0.710 121.069 120.400 -0.068 0.000 2.057 103 K HA -0.149 4.171 4.320 -0.000 0.000 0.206 103 K C 2.169 178.712 176.600 -0.095 0.000 1.050 103 K CA 1.352 57.603 56.287 -0.060 0.000 0.935 103 K CB -0.053 32.435 32.500 -0.020 0.000 0.715 103 K HN 0.110 nan 8.250 nan 0.000 0.439 104 R N -0.357 120.069 120.500 -0.123 0.000 2.092 104 R HA 0.017 4.357 4.340 -0.000 0.000 0.231 104 R C 2.286 178.462 176.300 -0.207 0.000 1.119 104 R CA 1.080 57.099 56.100 -0.135 0.000 0.970 104 R CB -0.411 29.827 30.300 -0.103 0.000 0.864 104 R HN 0.244 nan 8.270 nan 0.000 0.440 105 A N 1.305 123.913 122.820 -0.353 0.000 2.024 105 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 105 A C 1.823 179.297 177.584 -0.184 0.000 1.164 105 A CA 1.316 53.144 52.037 -0.348 0.000 0.643 105 A CB -0.327 18.375 19.000 -0.497 0.000 0.806 105 A HN 0.330 nan 8.150 nan 0.000 0.451 106 E N -0.604 119.508 120.200 -0.147 0.000 2.160 106 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 106 E C 1.864 178.409 176.600 -0.092 0.000 0.991 106 E CA 1.242 57.580 56.400 -0.103 0.000 0.810 106 E CB -0.063 29.589 29.700 -0.079 0.000 0.742 106 E HN 0.568 nan 8.360 nan 0.000 0.466 107 K N 0.491 120.840 120.400 -0.085 0.000 2.426 107 K HA -0.030 4.290 4.320 -0.000 0.000 0.193 107 K C 1.643 178.206 176.600 -0.061 0.000 1.028 107 K CA 0.543 56.790 56.287 -0.065 0.000 1.047 107 K CB 0.624 33.093 32.500 -0.051 0.000 0.821 107 K HN 0.098 nan 8.250 nan 0.000 0.513 108 V N -2.165 117.707 119.914 -0.070 0.000 3.635 108 V HA 0.367 4.487 4.120 -0.000 0.000 0.266 108 V C 0.521 176.595 176.094 -0.033 0.000 1.316 108 V CA -0.239 62.034 62.300 -0.046 0.000 1.060 108 V CB 0.339 32.138 31.823 -0.041 0.000 0.820 108 V HN 0.035 nan 8.190 nan 0.000 0.447 109 I N 1.878 122.415 120.570 -0.055 0.000 2.548 109 I HA 0.519 4.689 4.170 -0.000 0.000 0.287 109 I C -2.422 173.601 176.117 -0.157 0.000 1.103 109 I CA -2.152 59.124 61.300 -0.041 0.000 1.049 109 I CB 3.087 41.129 38.000 0.071 0.000 1.232 109 I HN -0.065 nan 8.210 nan 0.000 0.429 110 P HA 0.098 nan 4.420 nan 0.000 0.255 110 P C -1.062 175.854 177.300 -0.640 0.000 1.301 110 P CA 0.536 63.336 63.100 -0.500 0.000 0.817 110 P CB -0.445 30.927 31.700 -0.547 0.000 1.259 111 Y N 1.533 121.836 120.300 0.005 0.000 2.377 111 Y HA 0.455 5.005 4.550 -0.000 0.000 0.339 111 Y C -1.780 174.111 175.900 -0.015 0.000 1.011 111 Y CA -3.279 54.825 58.100 0.006 0.000 1.093 111 Y CB 0.619 39.090 38.460 0.019 0.000 1.201 111 Y HN -0.140 nan 8.280 nan 0.000 0.455 112 P HA 0.185 nan 4.420 nan 0.000 0.271 112 P C -0.608 176.716 177.300 0.039 0.000 1.218 112 P CA 0.037 63.154 63.100 0.028 0.000 0.780 112 P CB 1.346 33.039 31.700 -0.011 0.000 0.901 113 I N 2.241 122.818 120.570 0.011 0.000 2.331 113 I HA 0.170 4.340 4.170 -0.000 0.000 0.292 113 I C 0.744 176.872 176.117 0.017 0.000 0.998 113 I CA -0.261 61.051 61.300 0.020 0.000 1.267 113 I CB 0.736 38.749 38.000 0.022 0.000 1.386 113 I HN 0.220 nan 8.210 nan 0.000 0.476 114 E N 7.375 127.590 120.200 0.026 0.000 2.102 114 E HA 0.396 4.746 4.350 -0.000 0.000 0.263 114 E C -0.756 175.870 176.600 0.043 0.000 0.894 114 E CA -0.512 55.907 56.400 0.032 0.000 0.746 114 E CB 1.459 31.181 29.700 0.037 0.000 1.129 114 E HN 0.468 nan 8.360 nan 0.000 0.416 115 I N 5.071 125.669 120.570 0.047 0.000 2.556 115 I HA 0.112 4.282 4.170 -0.000 0.000 0.284 115 I C 0.540 176.693 176.117 0.060 0.000 1.114 115 I CA 0.003 61.333 61.300 0.050 0.000 1.418 115 I CB 0.003 38.029 38.000 0.043 0.000 1.394 115 I HN 0.439 nan 8.210 nan 0.000 0.552 116 I N 2.580 123.187 120.570 0.061 0.000 2.693 116 I HA 0.585 4.755 4.170 -0.000 0.000 0.303 116 I C 0.413 176.569 176.117 0.064 0.000 1.025 116 I CA -0.692 60.651 61.300 0.071 0.000 1.086 116 I CB 1.962 40.006 38.000 0.074 0.000 1.268 116 I HN 0.595 nan 8.210 nan 0.000 0.440 117 S N 2.924 118.663 115.700 0.066 0.000 2.608 117 S HA 0.296 4.766 4.470 -0.000 0.000 0.261 117 S C 1.226 175.863 174.600 0.062 0.000 1.314 117 S CA -0.036 58.197 58.200 0.055 0.000 0.992 117 S CB 1.054 64.283 63.200 0.048 0.000 0.935 117 S HN 0.998 nan 8.310 nan 0.000 0.564 118 G N 0.678 109.514 108.800 0.061 0.000 2.408 118 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 118 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 118 G C 1.376 176.313 174.900 0.062 0.000 1.150 118 G CA 0.602 45.743 45.100 0.069 0.000 0.776 118 G HN 0.827 nan 8.290 nan 0.000 0.542 119 N N 0.534 119.267 118.700 0.055 0.000 2.331 119 N HA -0.084 4.656 4.740 -0.000 0.000 0.180 119 N C 2.078 177.626 175.510 0.063 0.000 1.019 119 N CA 1.270 54.352 53.050 0.053 0.000 0.881 119 N CB 0.032 38.545 38.487 0.043 0.000 0.972 119 N HN 0.313 nan 8.380 nan 0.000 0.435 120 E N 1.490 121.732 120.200 0.070 0.000 2.107 120 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 120 E C 1.798 178.451 176.600 0.088 0.000 0.982 120 E CA 1.054 57.504 56.400 0.083 0.000 0.809 120 E CB -0.242 29.512 29.700 0.090 0.000 0.756 120 E HN 0.426 nan 8.360 nan 0.000 0.459 121 E N -0.183 120.066 120.200 0.083 0.000 2.051 121 E HA -0.224 4.126 4.350 -0.000 0.000 0.192 121 E C 1.946 178.600 176.600 0.090 0.000 0.991 121 E CA 1.217 57.668 56.400 0.085 0.000 0.799 121 E CB -0.275 29.474 29.700 0.082 0.000 0.748 121 E HN 0.304 nan 8.360 nan 0.000 0.449 122 A N 1.663 124.533 122.820 0.083 0.000 1.908 122 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 122 A C 2.273 179.929 177.584 0.121 0.000 1.181 122 A CA 1.654 53.743 52.037 0.087 0.000 0.627 122 A CB -0.659 18.381 19.000 0.067 0.000 0.818 122 A HN 0.272 nan 8.150 nan 0.000 0.445 123 R N -0.426 120.142 120.500 0.114 0.000 2.083 123 R HA -0.097 4.243 4.340 -0.000 0.000 0.237 123 R C 2.017 178.450 176.300 0.221 0.000 1.137 123 R CA 1.732 57.925 56.100 0.154 0.000 0.951 123 R CB -0.418 29.951 30.300 0.115 0.000 0.851 123 R HN 0.536 nan 8.270 nan 0.000 0.434 124 L N 0.295 121.615 121.223 0.162 0.000 2.093 124 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 124 L C 2.386 179.341 176.870 0.142 0.000 1.085 124 L CA 1.018 55.950 54.840 0.153 0.000 0.755 124 L CB -0.294 41.836 42.059 0.119 0.000 0.904 124 L HN 0.250 nan 8.230 nan 0.000 0.435 125 I N -0.841 119.808 120.570 0.132 0.000 2.179 125 I HA -0.335 3.835 4.170 -0.000 0.000 0.242 125 I C 2.479 178.661 176.117 0.108 0.000 1.088 125 I CA 1.439 62.799 61.300 0.101 0.000 1.357 125 I CB -0.361 37.690 38.000 0.085 0.000 1.051 125 I HN 0.139 nan 8.210 nan 0.000 0.409 126 F N 1.475 121.433 119.950 0.012 0.000 2.091 126 F HA -0.320 4.207 4.527 -0.000 0.000 0.299 126 F C 2.478 178.275 175.800 -0.005 0.000 1.103 126 F CA 1.827 59.818 58.000 -0.015 0.000 1.228 126 F CB -0.233 38.755 39.000 -0.020 0.000 0.984 126 F HN -0.054 nan 8.300 nan 0.000 0.477 127 M N 0.568 120.142 119.600 -0.043 0.000 2.117 127 M HA -0.092 4.387 4.480 -0.000 0.000 0.262 127 M C 2.606 178.892 176.300 -0.024 0.000 1.065 127 M CA 1.522 56.787 55.300 -0.058 0.000 1.114 127 M CB -2.353 30.376 32.600 0.215 0.000 1.361 127 M HN 0.350 nan 8.290 nan 0.000 0.408 128 G N -0.069 108.746 108.800 0.024 0.000 2.440 128 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.218 128 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.218 128 G C 1.698 176.562 174.900 -0.059 0.000 1.154 128 G CA 0.977 46.094 45.100 0.029 0.000 0.767 128 G HN 0.343 nan 8.290 nan 0.000 0.552 129 V N 0.629 120.465 119.914 -0.129 0.000 2.261 129 V HA -0.138 3.982 4.120 -0.000 0.000 0.246 129 V C 2.789 178.719 176.094 -0.273 0.000 1.047 129 V CA 1.971 64.170 62.300 -0.168 0.000 1.015 129 V CB -0.383 31.345 31.823 -0.158 0.000 0.642 129 V HN 0.317 nan 8.190 nan 0.000 0.446 130 E N -0.607 119.298 120.200 -0.491 0.000 2.130 130 E HA -0.229 4.121 4.350 -0.000 0.000 0.196 130 E C 2.141 178.478 176.600 -0.439 0.000 0.998 130 E CA 1.374 57.363 56.400 -0.685 0.000 0.806 130 E CB -0.296 28.684 29.700 -1.200 0.000 0.738 130 E HN 0.679 nan 8.360 nan 0.000 0.459 131 H N -0.714 118.233 119.070 -0.204 0.000 2.512 131 H HA 0.072 4.628 4.556 -0.000 0.000 0.279 131 H C 1.691 176.875 175.328 -0.240 0.000 0.999 131 H CA 1.215 57.089 56.048 -0.291 0.000 1.283 131 H CB 0.485 29.656 29.762 -0.985 0.000 1.421 131 H HN 0.111 nan 8.280 nan 0.000 0.554 132 T N 0.224 114.746 114.554 -0.054 0.000 3.033 132 T HA 0.028 4.378 4.350 -0.000 0.000 0.248 132 T C 1.084 175.765 174.700 -0.031 0.000 1.040 132 T CA 0.343 62.439 62.100 -0.007 0.000 1.133 132 T CB 0.404 69.274 68.868 0.005 0.000 0.895 132 T HN 0.143 nan 8.240 nan 0.000 0.465 133 Q N 1.954 121.704 119.800 -0.082 0.000 2.916 133 Q HA 0.238 4.578 4.340 -0.000 0.000 0.314 133 Q C -2.697 173.229 176.000 -0.123 0.000 1.194 133 Q CA -1.755 53.993 55.803 -0.092 0.000 1.079 133 Q CB 0.811 29.482 28.738 -0.110 0.000 1.322 133 Q HN 0.333 nan 8.270 nan 0.000 0.500 134 P HA 0.113 nan 4.420 nan 0.000 0.256 134 P C -0.490 176.765 177.300 -0.075 0.000 1.689 134 P CA 0.180 63.223 63.100 -0.094 0.000 1.124 134 P CB 0.224 31.915 31.700 -0.015 0.000 1.766 135 E N 3.046 123.182 120.200 -0.105 0.000 2.248 135 E HA 0.269 4.619 4.350 -0.000 0.000 0.267 135 E C -0.392 176.151 176.600 -0.096 0.000 0.877 135 E CA -1.083 55.271 56.400 -0.076 0.000 0.759 135 E CB 1.574 31.235 29.700 -0.066 0.000 1.182 135 E HN 0.201 nan 8.360 nan 0.000 0.418 136 K N 1.956 122.316 120.400 -0.066 0.000 2.149 136 K HA 0.608 4.928 4.320 -0.000 0.000 0.245 136 K C 0.309 176.875 176.600 -0.055 0.000 1.024 136 K CA 0.094 56.342 56.287 -0.065 0.000 0.899 136 K CB 0.716 33.193 32.500 -0.038 0.000 1.038 136 K HN 0.710 nan 8.250 nan 0.000 0.496 137 G N 0.052 108.823 108.800 -0.049 0.000 2.555 137 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.686 137 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.686 137 G C -1.345 173.545 174.900 -0.017 0.000 1.275 137 G CA -0.581 44.503 45.100 -0.026 0.000 0.871 137 G HN 0.826 nan 8.290 nan 0.000 0.603 138 R N 0.748 121.253 120.500 0.008 0.000 2.316 138 R HA 0.446 4.786 4.340 -0.000 0.000 0.314 138 R C 0.318 176.666 176.300 0.081 0.000 1.069 138 R CA -0.169 55.949 56.100 0.030 0.000 0.959 138 R CB 0.209 30.519 30.300 0.016 0.000 0.987 138 R HN 0.477 nan 8.270 nan 0.000 0.446 139 K N 4.604 125.054 120.400 0.083 0.000 2.156 139 K HA 0.288 4.608 4.320 -0.000 0.000 0.254 139 K C -0.898 175.719 176.600 0.029 0.000 0.950 139 K CA -1.054 55.278 56.287 0.076 0.000 0.849 139 K CB 1.775 34.312 32.500 0.062 0.000 1.100 139 K HN 0.311 nan 8.250 nan 0.000 0.434 140 L N 1.983 123.132 121.223 -0.123 0.000 2.296 140 L HA 0.380 4.720 4.340 -0.000 0.000 0.286 140 L C -1.247 175.487 176.870 -0.226 0.000 1.023 140 L CA -0.474 54.166 54.840 -0.334 0.000 0.812 140 L CB 1.677 43.109 42.059 -1.044 0.000 1.223 140 L HN 0.357 nan 8.230 nan 0.000 0.421 141 V N 6.546 126.399 119.914 -0.102 0.000 2.444 141 V HA 0.529 4.649 4.120 -0.000 0.000 0.294 141 V C -0.403 175.665 176.094 -0.042 0.000 1.022 141 V CA -0.522 61.759 62.300 -0.032 0.000 0.850 141 V CB 1.611 33.501 31.823 0.111 0.000 0.992 141 V HN 0.545 nan 8.190 nan 0.000 0.426 142 I N 3.968 124.500 120.570 -0.064 0.000 2.433 142 I HA 0.557 4.727 4.170 -0.000 0.000 0.292 142 I C -0.499 175.604 176.117 -0.024 0.000 1.001 142 I CA -0.415 60.852 61.300 -0.054 0.000 1.119 142 I CB 1.855 39.811 38.000 -0.073 0.000 1.289 142 I HN 0.610 nan 8.210 nan 0.000 0.438 143 D N 7.314 127.703 120.400 -0.018 0.000 2.575 143 D HA 0.414 5.054 4.640 -0.000 0.000 0.250 143 D C -1.020 175.264 176.300 -0.027 0.000 1.279 143 D CA -0.258 53.735 54.000 -0.010 0.000 0.925 143 D CB 1.571 42.376 40.800 0.007 0.000 1.261 143 D HN 0.318 nan 8.370 nan 0.000 0.567 144 I N 3.167 123.718 120.570 -0.032 0.000 2.312 144 I HA 0.416 4.586 4.170 -0.000 0.000 0.290 144 I C 1.174 177.266 176.117 -0.043 0.000 1.008 144 I CA -0.463 60.800 61.300 -0.062 0.000 1.226 144 I CB 1.776 39.727 38.000 -0.081 0.000 1.371 144 I HN 0.282 nan 8.210 nan 0.000 0.468 145 G N 3.231 112.000 108.800 -0.052 0.000 2.642 145 G HA2 0.427 4.387 3.960 -0.000 0.000 0.291 145 G HA3 0.427 4.387 3.960 -0.000 0.000 0.291 145 G C 0.924 175.799 174.900 -0.042 0.000 1.345 145 G CA -0.166 44.923 45.100 -0.019 0.000 1.043 145 G HN 0.677 nan 8.290 nan 0.000 0.528 146 G N -1.263 107.536 108.800 -0.001 0.000 2.421 146 G HA2 0.240 4.200 3.960 -0.000 0.000 0.217 146 G HA3 0.240 4.200 3.960 -0.000 0.000 0.217 146 G C 1.228 176.084 174.900 -0.072 0.000 1.143 146 G CA 1.537 46.636 45.100 -0.001 0.000 0.784 146 G HN 1.039 nan 8.290 nan 0.000 0.541 147 G N -0.945 107.755 108.800 -0.167 0.000 2.692 147 G HA2 0.393 4.353 3.960 -0.000 0.000 0.201 147 G HA3 0.393 4.353 3.960 -0.000 0.000 0.201 147 G C 0.469 174.894 174.900 -0.793 0.000 1.063 147 G CA 1.048 45.820 45.100 -0.547 0.000 0.790 147 G HN 0.857 nan 8.290 nan 0.000 0.599 148 S N -0.704 114.775 115.700 -0.369 0.000 2.627 148 S HA 0.734 5.204 4.470 -0.000 0.000 0.283 148 S C -1.226 173.299 174.600 -0.125 0.000 1.127 148 S CA -0.458 57.613 58.200 -0.216 0.000 0.863 148 S CB 2.288 65.467 63.200 -0.034 0.000 1.121 148 S HN -0.047 nan 8.310 nan 0.000 0.479 149 T N 2.140 116.629 114.554 -0.108 0.000 2.812 149 T HA 0.622 4.971 4.350 -0.000 0.000 0.282 149 T C -1.265 173.403 174.700 -0.054 0.000 0.990 149 T CA -0.403 61.640 62.100 -0.094 0.000 0.960 149 T CB 1.440 70.222 68.868 -0.143 0.000 0.948 149 T HN 0.673 nan 8.240 nan 0.000 0.438 150 E N 1.914 122.097 120.200 -0.030 0.000 2.207 150 E HA 0.737 5.087 4.350 -0.000 0.000 0.270 150 E C -1.201 175.394 176.600 -0.007 0.000 0.927 150 E CA -0.655 55.743 56.400 -0.003 0.000 0.799 150 E CB 1.371 31.089 29.700 0.029 0.000 1.172 150 E HN 0.305 nan 8.360 nan 0.000 0.404 151 L N 1.699 122.932 121.223 0.018 0.000 2.476 151 L HA 0.595 4.935 4.340 -0.000 0.000 0.269 151 L C -1.347 175.645 176.870 0.203 0.000 0.965 151 L CA -0.667 54.210 54.840 0.061 0.000 0.845 151 L CB 1.818 43.839 42.059 -0.063 0.000 1.259 151 L HN 0.261 nan 8.230 nan 0.000 0.403 152 V N 3.727 123.722 119.914 0.136 0.000 2.841 152 V HA 0.564 4.684 4.120 -0.000 0.000 0.310 152 V C -0.442 175.551 176.094 -0.168 0.000 1.090 152 V CA -0.482 61.808 62.300 -0.017 0.000 0.930 152 V CB 2.579 34.339 31.823 -0.105 0.000 1.014 152 V HN 0.542 nan 8.190 nan 0.000 0.425 153 I N 2.772 123.110 120.570 -0.387 0.000 2.433 153 I HA 0.869 5.039 4.170 -0.000 0.000 0.292 153 I C 0.552 176.393 176.117 -0.461 0.000 1.001 153 I CA -0.054 61.025 61.300 -0.368 0.000 1.119 153 I CB 2.013 39.760 38.000 -0.421 0.000 1.289 153 I HN 0.827 nan 8.210 nan 0.000 0.438 154 G N 4.239 112.815 108.800 -0.373 0.000 2.600 154 G HA2 0.600 4.560 3.960 -0.000 0.000 0.293 154 G HA3 0.600 4.560 3.960 -0.000 0.000 0.293 154 G C -2.031 172.883 174.900 0.022 0.000 1.408 154 G CA -0.367 44.482 45.100 -0.417 0.000 0.782 154 G HN 0.531 nan 8.290 nan 0.000 0.482 155 E N -0.085 120.175 120.200 0.099 0.000 2.335 155 E HA 0.324 4.674 4.350 -0.000 0.000 0.280 155 E C -0.380 176.254 176.600 0.056 0.000 0.918 155 E CA -0.748 55.694 56.400 0.071 0.000 0.765 155 E CB 1.275 30.977 29.700 0.003 0.000 1.218 155 E HN 0.565 nan 8.360 nan 0.000 0.425 156 N N 3.781 122.431 118.700 -0.084 0.000 2.714 156 N HA -0.223 4.517 4.740 -0.000 0.000 0.253 156 N C -0.654 174.898 175.510 0.070 0.000 1.024 156 N CA 1.248 54.238 53.050 -0.100 0.000 0.726 156 N CB -0.851 37.655 38.487 0.031 0.000 0.908 156 N HN 0.669 nan 8.380 nan 0.000 0.542 157 F N -2.194 117.768 119.950 0.021 0.000 3.006 157 F HA -0.258 4.269 4.527 -0.000 0.000 0.289 157 F C 0.453 176.396 175.800 0.239 0.000 0.772 157 F CA 0.939 58.966 58.000 0.045 0.000 1.162 157 F CB -1.060 37.881 39.000 -0.097 0.000 1.382 157 F HN 0.142 nan 8.300 nan 0.000 0.406 158 E N 0.732 121.144 120.200 0.354 0.000 2.182 158 E HA 0.378 4.728 4.350 -0.000 0.000 0.258 158 E C -2.317 174.275 176.600 -0.013 0.000 0.879 158 E CA -1.955 54.553 56.400 0.180 0.000 0.754 158 E CB 1.470 31.227 29.700 0.095 0.000 1.162 158 E HN -0.128 nan 8.360 nan 0.000 0.419 159 P HA 0.215 nan 4.420 nan 0.000 0.271 159 P C 0.405 177.533 177.300 -0.288 0.000 1.218 159 P CA 0.034 62.837 63.100 -0.495 0.000 0.780 159 P CB 1.074 32.556 31.700 -0.363 0.000 0.901 160 I N 0.524 120.895 120.570 -0.331 0.000 3.570 160 I HA 0.154 4.324 4.170 -0.000 0.000 0.270 160 I C 0.425 176.405 176.117 -0.228 0.000 1.162 160 I CA 0.447 61.609 61.300 -0.229 0.000 1.413 160 I CB 0.169 38.036 38.000 -0.222 0.000 1.437 160 I HN 0.104 nan 8.210 nan 0.000 0.457 161 L N 1.600 122.634 121.223 -0.316 0.000 2.385 161 L HA 0.600 4.939 4.340 -0.000 0.000 0.273 161 L C -1.299 175.462 176.870 -0.183 0.000 0.990 161 L CA -0.679 53.996 54.840 -0.276 0.000 0.821 161 L CB 2.534 44.256 42.059 -0.561 0.000 1.279 161 L HN -0.222 nan 8.230 nan 0.000 0.412 162 V N 2.398 122.300 119.914 -0.020 0.000 2.577 162 V HA 0.580 4.700 4.120 -0.000 0.000 0.303 162 V C -0.636 175.525 176.094 0.112 0.000 1.042 162 V CA -0.617 61.703 62.300 0.034 0.000 0.872 162 V CB 2.131 33.944 31.823 -0.016 0.000 0.998 162 V HN 0.668 nan 8.190 nan 0.000 0.423 163 E N 2.238 122.520 120.200 0.136 0.000 2.390 163 E HA 0.726 5.076 4.350 -0.000 0.000 0.277 163 E C -1.084 175.539 176.600 0.038 0.000 0.939 163 E CA -0.513 55.937 56.400 0.084 0.000 0.769 163 E CB 2.625 32.361 29.700 0.059 0.000 1.251 163 E HN 0.781 nan 8.360 nan 0.000 0.450 164 S N 1.490 117.202 115.700 0.020 0.000 2.546 164 S HA 0.799 5.269 4.470 -0.000 0.000 0.274 164 S C -0.732 173.869 174.600 0.002 0.000 1.121 164 S CA -1.009 57.199 58.200 0.012 0.000 0.887 164 S CB 2.306 65.528 63.200 0.038 0.000 1.094 164 S HN 0.317 nan 8.310 nan 0.000 0.474 165 R N 0.931 121.422 120.500 -0.015 0.000 2.673 165 R HA 0.400 4.740 4.340 -0.000 0.000 0.281 165 R C -0.840 175.452 176.300 -0.013 0.000 0.991 165 R CA -0.675 55.417 56.100 -0.013 0.000 0.896 165 R CB 1.779 32.052 30.300 -0.044 0.000 1.201 165 R HN 0.772 nan 8.270 nan 0.000 0.457 166 R N 2.876 123.396 120.500 0.034 0.000 3.688 166 R HA 0.179 4.519 4.340 -0.000 0.000 0.194 166 R C -0.011 176.286 176.300 -0.005 0.000 1.677 166 R CA 0.295 56.425 56.100 0.050 0.000 1.351 166 R CB -0.230 30.169 30.300 0.164 0.000 1.338 166 R HN 0.432 nan 8.270 nan 0.000 0.731 167 M N -1.449 118.060 119.600 -0.151 0.000 2.277 167 M HA 0.660 5.140 4.480 -0.000 0.000 0.282 167 M C -0.756 175.297 176.300 -0.412 0.000 1.074 167 M CA -0.861 54.242 55.300 -0.328 0.000 0.954 167 M CB 2.548 34.824 32.600 -0.540 0.000 1.672 167 M HN 0.234 nan 8.290 nan 0.000 0.471 168 G N 0.851 109.416 108.800 -0.390 0.000 2.682 168 G HA2 0.513 4.473 3.960 -0.000 0.000 0.290 168 G HA3 0.513 4.473 3.960 -0.000 0.000 0.290 168 G C -0.067 174.740 174.900 -0.155 0.000 1.425 168 G CA -0.754 44.184 45.100 -0.269 0.000 0.807 168 G HN 0.951 nan 8.290 nan 0.000 0.482 169 C N -0.625 118.626 119.300 -0.083 0.000 2.425 169 C HA -0.024 4.436 4.460 -0.000 0.000 0.277 169 C C 2.882 177.934 174.990 0.103 0.000 1.280 169 C CA 0.949 59.971 59.018 0.006 0.000 1.744 169 C CB -1.006 26.723 27.740 -0.019 0.000 1.989 169 C HN 0.451 nan 8.230 nan 0.000 0.491 170 V N 2.146 122.106 119.914 0.078 0.000 2.270 170 V HA -0.180 3.940 4.120 -0.000 0.000 0.245 170 V C 2.659 178.850 176.094 0.161 0.000 1.043 170 V CA 2.533 64.899 62.300 0.110 0.000 1.014 170 V CB -1.012 30.858 31.823 0.078 0.000 0.645 170 V HN 0.721 nan 8.190 nan 0.000 0.447 171 S N -0.000 115.797 115.700 0.162 0.000 2.368 171 S HA -0.206 4.264 4.470 -0.000 0.000 0.225 171 S C 1.940 176.740 174.600 0.333 0.000 1.030 171 S CA 1.521 59.849 58.200 0.213 0.000 0.999 171 S CB -0.771 62.557 63.200 0.213 0.000 0.844 171 S HN 0.388 nan 8.310 nan 0.000 0.459 172 F N 2.660 122.698 119.950 0.145 0.000 2.293 172 F HA 0.238 4.765 4.527 -0.000 0.000 0.300 172 F C 2.726 178.771 175.800 0.409 0.000 1.086 172 F CA -0.300 57.879 58.000 0.297 0.000 1.375 172 F CB -1.179 37.999 39.000 0.296 0.000 1.045 172 F HN 0.292 nan 8.300 nan 0.000 0.516 173 A N 0.258 123.385 122.820 0.511 0.000 1.858 173 A HA -0.251 4.069 4.320 -0.000 0.000 0.216 173 A C 2.155 179.944 177.584 0.342 0.000 1.190 173 A CA 1.875 54.244 52.037 0.552 0.000 0.617 173 A CB -0.871 18.395 19.000 0.443 0.000 0.827 173 A HN 0.510 nan 8.150 nan 0.000 0.443 174 Q N -0.301 119.601 119.800 0.171 0.000 2.119 174 Q HA -0.030 4.310 4.340 -0.000 0.000 0.201 174 Q C 1.999 177.943 176.000 -0.094 0.000 0.972 174 Q CA 1.399 57.223 55.803 0.035 0.000 0.847 174 Q CB -0.435 28.311 28.738 0.014 0.000 0.903 174 Q HN 0.618 nan 8.270 nan 0.000 0.433 175 L N -0.942 120.153 121.223 -0.213 0.000 2.109 175 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 175 L C 1.426 177.762 176.870 -0.889 0.000 1.086 175 L CA 1.192 55.652 54.840 -0.634 0.000 0.760 175 L CB -0.047 41.418 42.059 -0.990 0.000 0.910 175 L HN 0.213 nan 8.230 nan 0.000 0.437 176 Y N -3.248 116.895 120.300 -0.262 0.000 2.426 176 Y HA 0.214 4.764 4.550 -0.000 0.000 0.249 176 Y C 0.292 175.772 175.900 -0.701 0.000 1.103 176 Y CA -0.530 57.243 58.100 -0.545 0.000 1.256 176 Y CB 0.596 38.578 38.460 -0.795 0.000 1.208 176 Y HN -0.084 nan 8.280 nan 0.000 0.519 177 F N 2.161 122.166 119.950 0.091 0.000 2.542 177 F HA 0.378 4.905 4.527 -0.000 0.000 0.323 177 F C -2.562 173.164 175.800 -0.124 0.000 1.411 177 F CA -3.005 55.014 58.000 0.031 0.000 1.124 177 F CB 0.259 39.357 39.000 0.164 0.000 1.331 177 F HN -0.216 nan 8.300 nan 0.000 0.560 178 P HA 0.041 nan 4.420 nan 0.000 0.261 178 P C 0.982 178.230 177.300 -0.087 0.000 1.183 178 P CA 1.196 64.262 63.100 -0.056 0.000 0.761 178 P CB 0.988 32.649 31.700 -0.065 0.000 0.785 179 G N 3.116 111.850 108.800 -0.111 0.000 2.155 179 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.257 179 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.257 179 G C 0.844 175.600 174.900 -0.240 0.000 0.983 179 G CA 0.433 45.455 45.100 -0.131 0.000 0.676 179 G HN 1.060 nan 8.290 nan 0.000 0.528 180 G N -2.463 106.058 108.800 -0.465 0.000 2.143 180 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.249 180 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.249 180 G C 0.505 175.018 174.900 -0.644 0.000 0.981 180 G CA 0.551 45.009 45.100 -1.070 0.000 0.665 180 G HN 1.656 nan 8.290 nan 0.000 0.528 181 V N 1.314 121.095 119.914 -0.221 0.000 2.529 181 V HA 0.353 4.473 4.120 -0.000 0.000 0.292 181 V C 0.984 177.212 176.094 0.225 0.000 1.028 181 V CA 0.396 62.702 62.300 0.010 0.000 1.074 181 V CB 1.133 32.973 31.823 0.029 0.000 0.958 181 V HN 0.319 nan 8.190 nan 0.000 0.481 182 I N 6.319 127.045 120.570 0.259 0.000 2.355 182 I HA 0.471 4.641 4.170 -0.000 0.000 0.288 182 I C -0.189 176.089 176.117 0.267 0.000 0.999 182 I CA -0.246 61.278 61.300 0.374 0.000 1.163 182 I CB 1.285 39.489 38.000 0.339 0.000 1.316 182 I HN 0.889 nan 8.210 nan 0.000 0.454 183 N N 4.599 123.477 118.700 0.296 0.000 2.825 183 N HA 0.330 5.070 4.740 -0.000 0.000 0.253 183 N C 0.073 175.710 175.510 0.212 0.000 1.426 183 N CA -0.973 52.190 53.050 0.188 0.000 0.851 183 N CB 0.906 39.467 38.487 0.124 0.000 1.470 183 N HN 0.031 nan 8.380 nan 0.000 0.517 184 K N 0.058 120.540 120.400 0.136 0.000 2.103 184 K HA -0.092 4.228 4.320 -0.000 0.000 0.207 184 K C 0.745 177.441 176.600 0.160 0.000 1.048 184 K CA 1.617 57.987 56.287 0.138 0.000 0.930 184 K CB -0.208 32.335 32.500 0.072 0.000 0.716 184 K HN 0.633 nan 8.250 nan 0.000 0.444 185 E N 0.450 120.713 120.200 0.105 0.000 2.047 185 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 185 E C 1.773 178.389 176.600 0.027 0.000 0.987 185 E CA 1.012 57.447 56.400 0.058 0.000 0.799 185 E CB -0.192 29.528 29.700 0.033 0.000 0.752 185 E HN 0.224 nan 8.360 nan 0.000 0.449 186 N N -0.124 118.597 118.700 0.035 0.000 2.120 186 N HA -0.133 4.607 4.740 -0.000 0.000 0.188 186 N C 1.526 176.912 175.510 -0.207 0.000 1.024 186 N CA 0.738 53.701 53.050 -0.144 0.000 0.852 186 N CB -0.373 38.043 38.487 -0.118 0.000 1.003 186 N HN 0.126 nan 8.380 nan 0.000 0.424 187 F N 1.802 121.789 119.950 0.063 0.000 2.113 187 F HA -0.136 4.391 4.527 -0.000 0.000 0.297 187 F C 2.389 178.211 175.800 0.036 0.000 1.103 187 F CA 1.356 59.482 58.000 0.210 0.000 1.248 187 F CB -0.125 39.034 39.000 0.264 0.000 0.999 187 F HN 0.028 nan 8.300 nan 0.000 0.475 188 Q N -0.192 119.710 119.800 0.170 0.000 2.096 188 Q HA -0.215 4.125 4.340 -0.000 0.000 0.204 188 Q C 2.352 178.267 176.000 -0.142 0.000 0.982 188 Q CA 1.814 57.644 55.803 0.044 0.000 0.850 188 Q CB -0.227 28.563 28.738 0.086 0.000 0.901 188 Q HN 0.375 nan 8.270 nan 0.000 0.422 189 R N -0.117 120.260 120.500 -0.206 0.000 2.083 189 R HA -0.150 4.190 4.340 -0.000 0.000 0.237 189 R C 2.276 178.146 176.300 -0.717 0.000 1.137 189 R CA 1.258 57.155 56.100 -0.337 0.000 0.951 189 R CB -0.384 29.776 30.300 -0.233 0.000 0.851 189 R HN 0.238 nan 8.270 nan 0.000 0.434 190 A N 1.027 123.333 122.820 -0.857 0.000 1.902 190 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 190 A C 2.130 179.447 177.584 -0.447 0.000 1.181 190 A CA 1.467 52.908 52.037 -0.993 0.000 0.623 190 A CB -0.493 18.218 19.000 -0.481 0.000 0.818 190 A HN 0.266 nan 8.150 nan 0.000 0.443 191 R N -1.322 118.947 120.500 -0.386 0.000 2.081 191 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 191 R C 1.992 178.219 176.300 -0.122 0.000 1.131 191 R CA 1.817 57.785 56.100 -0.221 0.000 0.960 191 R CB -0.274 29.915 30.300 -0.185 0.000 0.856 191 R HN 0.378 nan 8.270 nan 0.000 0.436 192 M N 0.341 119.851 119.600 -0.150 0.000 2.159 192 M HA -0.043 4.437 4.480 -0.000 0.000 0.263 192 M C 2.392 178.634 176.300 -0.097 0.000 1.063 192 M CA 1.583 56.824 55.300 -0.098 0.000 1.110 192 M CB -1.135 31.409 32.600 -0.094 0.000 1.374 192 M HN 0.309 nan 8.290 nan 0.000 0.411 193 A N 0.164 122.867 122.820 -0.195 0.000 1.933 193 A HA -0.009 4.311 4.320 -0.000 0.000 0.218 193 A C 2.443 180.085 177.584 0.097 0.000 1.175 193 A CA 2.092 54.056 52.037 -0.121 0.000 0.628 193 A CB -0.834 17.895 19.000 -0.453 0.000 0.814 193 A HN 0.471 nan 8.150 nan 0.000 0.444 194 A N -0.171 122.731 122.820 0.136 0.000 1.873 194 A HA 0.213 4.533 4.320 -0.000 0.000 0.215 194 A C 2.515 180.112 177.584 0.022 0.000 1.186 194 A CA 1.938 54.034 52.037 0.098 0.000 0.616 194 A CB -1.044 17.970 19.000 0.024 0.000 0.823 194 A HN 1.056 nan 8.150 nan 0.000 0.442 195 A N -0.783 122.042 122.820 0.009 0.000 1.933 195 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 195 A C 2.192 179.779 177.584 0.006 0.000 1.175 195 A CA 1.828 53.868 52.037 0.005 0.000 0.628 195 A CB -0.607 18.399 19.000 0.010 0.000 0.814 195 A HN 0.674 nan 8.150 nan 0.000 0.444 196 Q N -0.132 119.675 119.800 0.012 0.000 2.096 196 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 196 Q C 1.836 177.849 176.000 0.021 0.000 0.982 196 Q CA 1.862 57.675 55.803 0.016 0.000 0.850 196 Q CB -0.143 28.605 28.738 0.018 0.000 0.901 196 Q HN 0.659 nan 8.270 nan 0.000 0.422 197 K N -0.072 120.348 120.400 0.032 0.000 2.283 197 K HA -0.077 4.243 4.320 -0.000 0.000 0.202 197 K C 1.695 178.283 176.600 -0.020 0.000 1.048 197 K CA 0.716 57.017 56.287 0.022 0.000 0.948 197 K CB 0.118 32.642 32.500 0.040 0.000 0.742 197 K HN 0.313 nan 8.250 nan 0.000 0.458 198 L N 0.126 121.326 121.223 -0.037 0.000 2.607 198 L HA 0.058 4.398 4.340 -0.000 0.000 0.228 198 L C 1.464 178.306 176.870 -0.047 0.000 1.123 198 L CA 0.028 54.820 54.840 -0.080 0.000 0.890 198 L CB -0.093 41.901 42.059 -0.110 0.000 1.103 198 L HN 0.079 nan 8.230 nan 0.000 0.468 199 E N 0.656 120.850 120.200 -0.010 0.000 2.136 199 E HA -0.282 4.068 4.350 -0.000 0.000 0.202 199 E C 1.995 178.613 176.600 0.030 0.000 1.019 199 E CA 2.175 58.584 56.400 0.015 0.000 0.819 199 E CB -0.201 29.510 29.700 0.018 0.000 0.739 199 E HN 0.557 nan 8.360 nan 0.000 0.458 200 T N -1.050 113.517 114.554 0.021 0.000 3.113 200 T HA 0.006 4.356 4.350 -0.000 0.000 0.256 200 T C 1.536 176.275 174.700 0.065 0.000 1.131 200 T CA 0.663 62.789 62.100 0.044 0.000 1.074 200 T CB -0.024 68.865 68.868 0.036 0.000 0.944 200 T HN 0.149 nan 8.240 nan 0.000 0.516 201 L N -0.644 120.589 121.223 0.017 0.000 2.817 201 L HA 0.465 4.805 4.340 -0.000 0.000 0.248 201 L C 2.000 178.904 176.870 0.058 0.000 1.133 201 L CA 0.477 55.327 54.840 0.016 0.000 0.935 201 L CB -1.033 40.893 42.059 -0.222 0.000 1.266 201 L HN 0.179 nan 8.230 nan 0.000 0.535 202 T N -3.634 110.959 114.554 0.065 0.000 2.684 202 T HA -0.279 4.071 4.350 -0.000 0.000 0.267 202 T C 1.625 176.463 174.700 0.230 0.000 1.036 202 T CA 1.730 63.904 62.100 0.123 0.000 1.148 202 T CB -1.121 67.816 68.868 0.116 0.000 0.863 202 T HN 0.616 nan 8.240 nan 0.000 0.436 203 W N 1.871 123.220 121.300 0.082 0.000 2.379 203 W HA -0.122 4.538 4.660 -0.000 0.000 0.307 203 W C 2.397 178.981 176.519 0.108 0.000 1.200 203 W CA 1.395 58.785 57.345 0.076 0.000 1.297 203 W CB -0.374 29.114 29.460 0.047 0.000 1.140 203 W HN 0.400 nan 8.180 nan 0.000 0.507 204 Q N -0.305 119.575 119.800 0.132 0.000 2.096 204 Q HA -0.250 4.090 4.340 -0.000 0.000 0.204 204 Q C 2.241 178.284 176.000 0.072 0.000 0.982 204 Q CA 2.106 57.945 55.803 0.060 0.000 0.850 204 Q CB -0.643 28.226 28.738 0.219 0.000 0.901 204 Q HN 0.188 nan 8.270 nan 0.000 0.422 205 F N 0.293 120.224 119.950 -0.032 0.000 2.128 205 F HA -0.037 4.490 4.527 -0.000 0.000 0.295 205 F C 2.430 178.262 175.800 0.053 0.000 1.100 205 F CA 1.142 59.173 58.000 0.052 0.000 1.260 205 F CB -0.216 38.850 39.000 0.111 0.000 1.009 205 F HN 0.005 nan 8.300 nan 0.000 0.476 206 R N -0.568 120.011 120.500 0.132 0.000 2.096 206 R HA -0.147 4.193 4.340 -0.000 0.000 0.235 206 R C 2.037 178.119 176.300 -0.364 0.000 1.127 206 R CA 1.311 57.339 56.100 -0.120 0.000 0.968 206 R CB -0.591 29.658 30.300 -0.086 0.000 0.861 206 R HN 0.205 nan 8.270 nan 0.000 0.440 207 I N 0.693 120.955 120.570 -0.514 0.000 2.761 207 I HA -0.156 4.014 4.170 -0.000 0.000 0.261 207 I C 2.189 178.096 176.117 -0.351 0.000 1.198 207 I CA 1.142 62.098 61.300 -0.574 0.000 1.482 207 I CB -0.025 37.432 38.000 -0.905 0.000 1.100 207 I HN 0.036 nan 8.210 nan 0.000 0.445 208 Q N 1.314 120.951 119.800 -0.271 0.000 2.020 208 Q HA 0.194 4.534 4.340 -0.000 0.000 0.198 208 Q C 1.213 177.093 176.000 -0.201 0.000 0.974 208 Q CA 1.374 57.054 55.803 -0.206 0.000 0.829 208 Q CB -0.557 28.058 28.738 -0.206 0.000 0.894 208 Q HN 0.496 nan 8.270 nan 0.000 0.433 209 G N -1.233 107.438 108.800 -0.215 0.000 2.760 209 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.246 209 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.246 209 G C -1.035 173.817 174.900 -0.079 0.000 1.359 209 G CA -0.261 44.582 45.100 -0.429 0.000 0.861 209 G HN 0.778 nan 8.290 nan 0.000 0.541 210 W N -1.842 119.396 121.300 -0.104 0.000 3.248 210 W HA 0.697 5.357 4.660 -0.000 0.000 0.311 210 W C 0.018 176.494 176.519 -0.072 0.000 1.258 210 W CA -0.750 56.541 57.345 -0.090 0.000 1.191 210 W CB 0.207 29.617 29.460 -0.082 0.000 1.389 210 W HN 0.488 nan 8.180 nan 0.000 0.561 211 N N 0.397 119.186 118.700 0.148 0.000 2.333 211 N HA 0.091 4.831 4.740 -0.000 0.000 0.178 211 N C -0.465 175.136 175.510 0.152 0.000 1.018 211 N CA 0.716 53.812 53.050 0.077 0.000 0.882 211 N CB 0.792 39.297 38.487 0.030 0.000 0.984 211 N HN 0.239 nan 8.380 nan 0.000 0.434 212 V N -0.324 119.721 119.914 0.218 0.000 2.971 212 V HA 0.757 4.877 4.120 -0.000 0.000 0.309 212 V C -1.740 174.402 176.094 0.081 0.000 1.130 212 V CA -0.919 61.473 62.300 0.153 0.000 0.964 212 V CB 1.840 33.691 31.823 0.047 0.000 1.029 212 V HN 0.025 nan 8.190 nan 0.000 0.427 213 A N 7.638 130.447 122.820 -0.018 0.000 2.318 213 A HA 0.944 5.264 4.320 -0.000 0.000 0.317 213 A C -0.758 176.750 177.584 -0.127 0.000 1.159 213 A CA -0.674 51.221 52.037 -0.237 0.000 0.799 213 A CB 1.321 20.081 19.000 -0.400 0.000 1.194 213 A HN 0.748 nan 8.150 nan 0.000 0.479 214 M N 2.010 121.532 119.600 -0.131 0.000 2.465 214 M HA 0.560 5.040 4.480 -0.000 0.000 0.316 214 M C 0.153 176.414 176.300 -0.066 0.000 1.121 214 M CA -0.431 54.822 55.300 -0.078 0.000 0.934 214 M CB 1.600 34.157 32.600 -0.071 0.000 1.692 214 M HN 0.816 nan 8.290 nan 0.000 0.444 215 G N 1.047 109.827 108.800 -0.034 0.000 2.495 215 G HA2 0.829 4.789 3.960 -0.000 0.000 0.318 215 G HA3 0.829 4.789 3.960 -0.000 0.000 0.318 215 G C -1.450 173.444 174.900 -0.009 0.000 1.257 215 G CA -0.459 44.634 45.100 -0.011 0.000 0.962 215 G HN 0.875 nan 8.290 nan 0.000 0.483 216 A N 1.132 123.949 122.820 -0.005 0.000 2.386 216 A HA 0.974 5.294 4.320 -0.000 0.000 0.308 216 A C 0.464 178.049 177.584 0.003 0.000 1.128 216 A CA 0.143 52.177 52.037 -0.006 0.000 0.789 216 A CB 1.034 20.028 19.000 -0.009 0.000 1.325 216 A HN 2.122 nan 8.150 nan 0.000 0.437 217 S N -1.749 113.950 115.700 -0.001 0.000 3.880 217 S HA -0.115 4.354 4.470 -0.000 0.000 0.639 217 S C 1.262 175.883 174.600 0.036 0.000 1.856 217 S CA 0.631 58.834 58.200 0.005 0.000 2.023 217 S CB -1.365 61.841 63.200 0.011 0.000 0.328 217 S HN 2.311 nan 8.310 nan 0.000 1.793 218 G N 0.036 108.869 108.800 0.055 0.000 2.440 218 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.218 218 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.218 218 G C 1.323 176.279 174.900 0.093 0.000 1.154 218 G CA 1.924 47.072 45.100 0.079 0.000 0.767 218 G HN 0.773 nan 8.290 nan 0.000 0.552 219 T N 1.439 116.033 114.554 0.066 0.000 2.701 219 T HA -0.074 4.276 4.350 -0.000 0.000 0.263 219 T C 2.368 177.120 174.700 0.087 0.000 1.040 219 T CA 0.994 63.128 62.100 0.057 0.000 1.147 219 T CB -0.104 68.745 68.868 -0.032 0.000 0.865 219 T HN 0.077 nan 8.240 nan 0.000 0.426 220 I N 1.542 122.150 120.570 0.062 0.000 2.226 220 I HA -0.062 4.108 4.170 -0.000 0.000 0.245 220 I C 2.314 178.509 176.117 0.129 0.000 1.100 220 I CA 1.185 62.534 61.300 0.082 0.000 1.374 220 I CB -1.167 36.868 38.000 0.059 0.000 1.057 220 I HN 0.258 nan 8.210 nan 0.000 0.413 221 K N 1.337 121.808 120.400 0.118 0.000 2.032 221 K HA -0.176 4.144 4.320 -0.000 0.000 0.209 221 K C 2.188 178.880 176.600 0.153 0.000 1.048 221 K CA 1.837 58.210 56.287 0.143 0.000 0.927 221 K CB -0.112 32.449 32.500 0.102 0.000 0.712 221 K HN 0.230 nan 8.250 nan 0.000 0.441 222 A N 0.884 123.796 122.820 0.154 0.000 1.933 222 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 222 A C 2.343 180.032 177.584 0.175 0.000 1.175 222 A CA 1.786 53.899 52.037 0.128 0.000 0.628 222 A CB -0.865 18.257 19.000 0.204 0.000 0.814 222 A HN 0.516 nan 8.150 nan 0.000 0.444 223 A N -0.446 122.578 122.820 0.340 0.000 1.883 223 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 223 A C 2.053 179.735 177.584 0.164 0.000 1.186 223 A CA 2.246 54.468 52.037 0.308 0.000 0.624 223 A CB -0.978 18.137 19.000 0.192 0.000 0.822 223 A HN 0.817 nan 8.150 nan 0.000 0.444 224 H N -0.073 119.039 119.070 0.071 0.000 2.353 224 H HA -0.091 4.465 4.556 -0.000 0.000 0.300 224 H C 1.833 177.173 175.328 0.019 0.000 1.090 224 H CA 2.177 58.248 56.048 0.038 0.000 1.327 224 H CB -0.289 29.494 29.762 0.035 0.000 1.383 224 H HN 0.610 nan 8.280 nan 0.000 0.508 225 E N -0.403 119.622 120.200 -0.291 0.000 2.106 225 E HA -0.100 4.250 4.350 -0.000 0.000 0.192 225 E C 2.397 178.859 176.600 -0.231 0.000 0.984 225 E CA 1.231 57.420 56.400 -0.352 0.000 0.806 225 E CB 0.115 29.702 29.700 -0.187 0.000 0.750 225 E HN 0.329 nan 8.360 nan 0.000 0.458 226 V N 1.363 121.179 119.914 -0.165 0.000 2.427 226 V HA -0.233 3.886 4.120 -0.000 0.000 0.248 226 V C 2.246 178.282 176.094 -0.096 0.000 1.051 226 V CA 1.276 63.486 62.300 -0.149 0.000 1.048 226 V CB -0.412 31.300 31.823 -0.185 0.000 0.666 226 V HN 0.264 nan 8.190 nan 0.000 0.456 227 L N -0.951 120.232 121.223 -0.068 0.000 2.017 227 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 227 L C 2.645 179.482 176.870 -0.054 0.000 1.073 227 L CA 1.317 56.137 54.840 -0.033 0.000 0.745 227 L CB -0.502 41.568 42.059 0.019 0.000 0.894 227 L HN 0.287 nan 8.230 nan 0.000 0.432 228 M N -0.807 118.724 119.600 -0.115 0.000 2.159 228 M HA -0.166 4.314 4.480 -0.000 0.000 0.263 228 M C 2.129 178.382 176.300 -0.078 0.000 1.063 228 M CA 1.461 56.701 55.300 -0.099 0.000 1.110 228 M CB -1.132 31.368 32.600 -0.167 0.000 1.374 228 M HN 0.206 nan 8.290 nan 0.000 0.411 229 E N -0.188 119.955 120.200 -0.094 0.000 2.204 229 E HA -0.039 4.311 4.350 -0.000 0.000 0.194 229 E C 1.443 178.012 176.600 -0.052 0.000 0.989 229 E CA 0.826 57.182 56.400 -0.074 0.000 0.824 229 E CB -0.104 29.543 29.700 -0.089 0.000 0.756 229 E HN 0.555 nan 8.360 nan 0.000 0.477 230 M N -0.497 119.075 119.600 -0.047 0.000 2.626 230 M HA 0.196 4.676 4.480 -0.000 0.000 0.262 230 M C 0.742 177.031 176.300 -0.020 0.000 1.256 230 M CA 0.255 55.537 55.300 -0.030 0.000 0.981 230 M CB 0.880 33.463 32.600 -0.027 0.000 1.492 230 M HN 0.157 nan 8.290 nan 0.000 0.474 231 G N 0.085 108.873 108.800 -0.019 0.000 2.175 231 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.244 231 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.244 231 G C -0.162 174.738 174.900 -0.001 0.000 0.982 231 G CA -0.399 44.696 45.100 -0.010 0.000 0.641 231 G HN 0.442 nan 8.290 nan 0.000 0.527 232 E N 0.498 120.699 120.200 0.001 0.000 2.376 232 E HA 0.245 4.595 4.350 -0.000 0.000 0.266 232 E C 1.196 177.809 176.600 0.022 0.000 1.009 232 E CA -0.098 56.311 56.400 0.016 0.000 0.902 232 E CB 0.924 30.639 29.700 0.026 0.000 0.972 232 E HN 0.445 nan 8.360 nan 0.000 0.439 233 K N 1.173 121.588 120.400 0.025 0.000 2.365 233 K HA -0.115 4.205 4.320 -0.000 0.000 0.199 233 K C -0.056 176.566 176.600 0.037 0.000 1.045 233 K CA 1.043 57.346 56.287 0.026 0.000 0.962 233 K CB 0.185 32.698 32.500 0.022 0.000 0.759 233 K HN 0.583 nan 8.250 nan 0.000 0.469 234 D N -3.953 116.477 120.400 0.050 0.000 2.583 234 D HA 0.178 4.818 4.640 -0.000 0.000 0.248 234 D C 0.344 176.704 176.300 0.099 0.000 1.209 234 D CA -0.919 53.120 54.000 0.064 0.000 0.848 234 D CB 0.963 41.792 40.800 0.049 0.000 1.431 234 D HN -0.145 nan 8.370 nan 0.000 0.436 235 G N -0.210 108.659 108.800 0.114 0.000 3.026 235 G HA2 0.147 4.107 3.960 -0.000 0.000 0.208 235 G HA3 0.147 4.107 3.960 -0.000 0.000 0.208 235 G C 0.290 175.235 174.900 0.075 0.000 1.169 235 G CA -0.197 44.996 45.100 0.154 0.000 0.788 235 G HN 0.481 nan 8.290 nan 0.000 0.533 236 I N 1.392 122.005 120.570 0.072 0.000 2.533 236 I HA 0.150 4.320 4.170 -0.000 0.000 0.284 236 I C 0.110 176.289 176.117 0.103 0.000 1.109 236 I CA -0.176 61.169 61.300 0.074 0.000 1.412 236 I CB 1.267 39.311 38.000 0.073 0.000 1.396 236 I HN -0.077 nan 8.210 nan 0.000 0.543 237 I N 6.466 127.112 120.570 0.127 0.000 2.371 237 I HA 0.209 4.379 4.170 -0.000 0.000 0.290 237 I C 0.537 176.777 176.117 0.205 0.000 1.028 237 I CA -0.010 61.360 61.300 0.117 0.000 1.345 237 I CB 0.936 38.994 38.000 0.096 0.000 1.407 237 I HN 0.629 nan 8.210 nan 0.000 0.501 238 T N 3.114 117.732 114.554 0.107 0.000 2.916 238 T HA 0.447 4.797 4.350 -0.000 0.000 0.292 238 T C -2.033 172.706 174.700 0.064 0.000 1.064 238 T CA -1.961 60.259 62.100 0.200 0.000 1.011 238 T CB 2.051 71.001 68.868 0.137 0.000 1.152 238 T HN 0.235 nan 8.240 nan 0.000 0.510 239 P HA -0.168 nan 4.420 nan 0.000 0.216 239 P C 1.252 178.571 177.300 0.031 0.000 1.153 239 P CA 1.364 64.535 63.100 0.118 0.000 0.858 239 P CB 0.238 32.065 31.700 0.212 0.000 0.789 240 E N 0.144 120.372 120.200 0.047 0.000 2.077 240 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 240 E C 2.297 178.898 176.600 0.001 0.000 0.989 240 E CA 0.997 57.413 56.400 0.026 0.000 0.800 240 E CB -0.188 29.534 29.700 0.036 0.000 0.746 240 E HN 0.057 nan 8.360 nan 0.000 0.452 241 R N -0.063 120.435 120.500 -0.005 0.000 2.115 241 R HA -0.035 4.305 4.340 -0.000 0.000 0.230 241 R C 2.512 178.783 176.300 -0.048 0.000 1.111 241 R CA 0.986 57.077 56.100 -0.016 0.000 0.976 241 R CB -0.156 30.143 30.300 -0.001 0.000 0.870 241 R HN 0.275 nan 8.270 nan 0.000 0.445 242 L N 0.624 121.783 121.223 -0.106 0.000 2.046 242 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 242 L C 2.235 179.066 176.870 -0.066 0.000 1.077 242 L CA 1.078 55.837 54.840 -0.135 0.000 0.747 242 L CB -0.301 41.594 42.059 -0.274 0.000 0.896 242 L HN 0.155 nan 8.230 nan 0.000 0.432 243 E N 0.440 120.614 120.200 -0.044 0.000 2.110 243 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 243 E C 2.114 178.690 176.600 -0.041 0.000 0.988 243 E CA 1.123 57.505 56.400 -0.031 0.000 0.804 243 E CB -0.083 29.612 29.700 -0.008 0.000 0.745 243 E HN 0.456 nan 8.360 nan 0.000 0.458 244 K N 0.376 120.759 120.400 -0.029 0.000 2.057 244 K HA -0.055 4.265 4.320 -0.000 0.000 0.207 244 K C 2.327 178.912 176.600 -0.025 0.000 1.049 244 K CA 0.767 57.039 56.287 -0.024 0.000 0.931 244 K CB -0.117 32.376 32.500 -0.013 0.000 0.714 244 K HN 0.073 nan 8.250 nan 0.000 0.440 245 L N 0.371 121.584 121.223 -0.016 0.000 2.056 245 L HA -0.180 4.159 4.340 -0.000 0.000 0.207 245 L C 2.271 179.123 176.870 -0.030 0.000 1.078 245 L CA 0.874 55.727 54.840 0.021 0.000 0.749 245 L CB -0.407 41.697 42.059 0.075 0.000 0.901 245 L HN 0.016 nan 8.230 nan 0.000 0.433 246 V N 0.224 120.066 119.914 -0.118 0.000 2.287 246 V HA -0.349 3.771 4.120 -0.000 0.000 0.248 246 V C 2.552 178.505 176.094 -0.235 0.000 1.053 246 V CA 2.078 64.191 62.300 -0.312 0.000 1.027 246 V CB -0.567 31.041 31.823 -0.359 0.000 0.646 246 V HN 0.454 nan 8.190 nan 0.000 0.447 247 K N -0.409 119.910 120.400 -0.135 0.000 2.063 247 K HA -0.228 4.092 4.320 -0.000 0.000 0.208 247 K C 2.218 178.767 176.600 -0.084 0.000 1.048 247 K CA 1.561 57.788 56.287 -0.099 0.000 0.928 247 K CB -0.091 32.370 32.500 -0.065 0.000 0.713 247 K HN 0.329 nan 8.250 nan 0.000 0.442 248 E N 0.427 120.595 120.200 -0.053 0.000 2.051 248 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 248 E C 2.065 178.673 176.600 0.014 0.000 0.991 248 E CA 0.911 57.299 56.400 -0.021 0.000 0.799 248 E CB -0.333 29.381 29.700 0.023 0.000 0.748 248 E HN 0.119 nan 8.360 nan 0.000 0.449 249 V N 1.308 121.243 119.914 0.036 0.000 2.332 249 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 249 V C 2.354 178.487 176.094 0.065 0.000 1.055 249 V CA 1.372 63.735 62.300 0.105 0.000 1.038 249 V CB -0.441 31.396 31.823 0.023 0.000 0.651 249 V HN 0.241 nan 8.190 nan 0.000 0.450 250 L N -0.554 120.637 121.223 -0.054 0.000 2.622 250 L HA -0.034 4.306 4.340 -0.000 0.000 0.233 250 L C 2.374 179.197 176.870 -0.080 0.000 1.156 250 L CA 0.739 55.552 54.840 -0.045 0.000 0.866 250 L CB -0.520 41.492 42.059 -0.080 0.000 0.980 250 L HN 0.260 nan 8.230 nan 0.000 0.448 251 R N -1.289 119.093 120.500 -0.197 0.000 2.276 251 R HA 0.046 4.386 4.340 -0.000 0.000 0.203 251 R C -0.091 175.942 176.300 -0.444 0.000 1.017 251 R CA 0.316 56.204 56.100 -0.352 0.000 1.010 251 R CB -0.020 29.979 30.300 -0.502 0.000 0.900 251 R HN 0.428 nan 8.270 nan 0.000 0.469 252 H N -0.549 118.538 119.070 0.028 0.000 2.492 252 H HA 0.232 4.788 4.556 -0.000 0.000 0.345 252 H C 0.792 176.164 175.328 0.072 0.000 1.136 252 H CA -0.890 55.186 56.048 0.046 0.000 1.202 252 H CB 1.392 31.183 29.762 0.048 0.000 1.524 252 H HN -0.087 nan 8.280 nan 0.000 0.506 253 R N 1.437 122.049 120.500 0.187 0.000 2.210 253 R HA 0.116 4.456 4.340 -0.000 0.000 0.203 253 R C -0.053 176.335 176.300 0.146 0.000 1.010 253 R CA 0.445 56.627 56.100 0.136 0.000 1.008 253 R CB 0.194 30.548 30.300 0.090 0.000 0.923 253 R HN 0.460 nan 8.270 nan 0.000 0.469 254 N N -0.317 118.485 118.700 0.171 0.000 2.396 254 N HA 0.162 4.902 4.740 -0.000 0.000 0.275 254 N C 0.219 175.891 175.510 0.270 0.000 1.218 254 N CA -0.565 52.579 53.050 0.157 0.000 0.812 254 N CB 1.319 39.847 38.487 0.068 0.000 1.592 254 N HN -0.147 nan 8.380 nan 0.000 0.480 255 F N 1.014 120.977 119.950 0.023 0.000 2.154 255 F HA -0.242 4.285 4.527 -0.000 0.000 0.301 255 F C 2.355 178.142 175.800 -0.023 0.000 1.087 255 F CA 1.244 59.239 58.000 -0.007 0.000 1.274 255 F CB 0.057 39.050 39.000 -0.012 0.000 1.009 255 F HN 0.581 nan 8.300 nan 0.000 0.485 256 A N -0.136 122.794 122.820 0.183 0.000 2.019 256 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 256 A C 1.889 179.493 177.584 0.034 0.000 1.164 256 A CA 1.723 53.810 52.037 0.082 0.000 0.644 256 A CB -0.670 18.361 19.000 0.052 0.000 0.805 256 A HN 0.375 nan 8.150 nan 0.000 0.449 257 S N -1.280 114.441 115.700 0.036 0.000 2.575 257 S HA 0.348 4.818 4.470 -0.000 0.000 0.237 257 S C 0.165 174.664 174.600 -0.169 0.000 0.975 257 S CA -0.420 57.772 58.200 -0.015 0.000 0.960 257 S CB -0.274 62.956 63.200 0.050 0.000 0.822 257 S HN 0.233 nan 8.310 nan 0.000 0.472 258 L N 4.103 125.218 121.223 -0.180 0.000 2.400 258 L HA 0.282 4.622 4.340 -0.000 0.000 0.262 258 L C 0.586 177.182 176.870 -0.457 0.000 1.309 258 L CA 0.072 54.681 54.840 -0.384 0.000 1.186 258 L CB -0.546 41.428 42.059 -0.142 0.000 1.375 258 L HN 0.400 nan 8.230 nan 0.000 0.433 259 S N 3.649 118.950 115.700 -0.665 0.000 3.983 259 S HA 0.299 4.769 4.470 -0.000 0.000 0.194 259 S C 0.135 174.593 174.600 -0.237 0.000 1.464 259 S CA -0.654 57.346 58.200 -0.333 0.000 1.021 259 S CB -0.700 62.386 63.200 -0.190 0.000 1.424 259 S HN 0.463 nan 8.310 nan 0.000 0.473 260 L N 2.405 123.482 121.223 -0.243 0.000 2.305 260 L HA 0.408 4.748 4.340 -0.000 0.000 0.281 260 L C -2.242 174.524 176.870 -0.172 0.000 1.085 260 L CA -2.499 52.236 54.840 -0.176 0.000 0.813 260 L CB 0.879 42.780 42.059 -0.263 0.000 1.157 260 L HN 0.196 nan 8.230 nan 0.000 0.436 261 P HA 0.091 nan 4.420 nan 0.000 0.267 261 P C 0.714 177.930 177.300 -0.141 0.000 1.209 261 P CA 0.421 63.455 63.100 -0.109 0.000 0.763 261 P CB 0.930 32.584 31.700 -0.077 0.000 0.816 262 G N 1.744 110.467 108.800 -0.128 0.000 2.195 262 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.246 262 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.246 262 G C -0.296 174.511 174.900 -0.156 0.000 0.984 262 G CA -0.425 44.596 45.100 -0.132 0.000 0.633 262 G HN 0.449 nan 8.290 nan 0.000 0.525 263 L N 2.444 123.551 121.223 -0.194 0.000 2.312 263 L HA 0.621 4.961 4.340 -0.000 0.000 0.281 263 L C 1.279 178.071 176.870 -0.129 0.000 1.070 263 L CA 0.238 54.952 54.840 -0.210 0.000 0.805 263 L CB 1.644 43.521 42.059 -0.304 0.000 1.174 263 L HN 0.432 nan 8.230 nan 0.000 0.434 264 S N 1.304 116.951 115.700 -0.089 0.000 2.614 264 S HA 0.213 4.683 4.470 -0.000 0.000 0.265 264 S C 0.890 175.462 174.600 -0.047 0.000 1.303 264 S CA -0.668 57.502 58.200 -0.050 0.000 1.000 264 S CB 0.925 64.113 63.200 -0.020 0.000 0.935 264 S HN 0.591 nan 8.310 nan 0.000 0.551 265 E N 0.869 121.053 120.200 -0.027 0.000 2.110 265 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 265 E C 1.825 178.426 176.600 0.000 0.000 0.988 265 E CA 1.046 57.435 56.400 -0.018 0.000 0.804 265 E CB -0.240 29.456 29.700 -0.007 0.000 0.745 265 E HN 0.672 nan 8.360 nan 0.000 0.458 266 E N 0.492 120.704 120.200 0.020 0.000 2.072 266 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 266 E C 2.109 178.733 176.600 0.040 0.000 0.985 266 E CA 0.687 57.120 56.400 0.054 0.000 0.801 266 E CB -0.173 29.582 29.700 0.092 0.000 0.750 266 E HN -0.004 nan 8.360 nan 0.000 0.452 267 R N 1.690 122.202 120.500 0.019 0.000 2.115 267 R HA -0.031 4.309 4.340 -0.000 0.000 0.230 267 R C 1.898 178.196 176.300 -0.003 0.000 1.111 267 R CA 1.235 57.348 56.100 0.021 0.000 0.976 267 R CB -0.177 30.125 30.300 0.002 0.000 0.870 267 R HN 0.011 nan 8.270 nan 0.000 0.445 268 K N -0.688 119.685 120.400 -0.045 0.000 2.152 268 K HA -0.128 4.192 4.320 -0.000 0.000 0.206 268 K C 1.698 178.241 176.600 -0.094 0.000 1.048 268 K CA 1.854 58.096 56.287 -0.074 0.000 0.933 268 K CB -0.193 32.271 32.500 -0.061 0.000 0.721 268 K HN 0.477 nan 8.250 nan 0.000 0.447 269 T N -2.126 112.412 114.554 -0.027 0.000 3.035 269 T HA -0.031 4.319 4.350 -0.000 0.000 0.268 269 T C 1.516 176.172 174.700 -0.073 0.000 1.109 269 T CA 1.022 63.146 62.100 0.040 0.000 1.119 269 T CB 0.034 68.933 68.868 0.052 0.000 0.900 269 T HN 0.087 nan 8.240 nan 0.000 0.503 270 V N -3.639 116.193 119.914 -0.137 0.000 3.382 270 V HA 0.477 4.597 4.120 -0.000 0.000 0.296 270 V C 1.536 177.526 176.094 -0.174 0.000 1.529 270 V CA -0.583 61.633 62.300 -0.139 0.000 1.048 270 V CB -1.020 30.794 31.823 -0.015 0.000 0.878 270 V HN 0.249 nan 8.190 nan 0.000 0.442 271 F N 1.934 121.693 119.950 -0.318 0.000 2.146 271 F HA -0.033 4.494 4.527 -0.000 0.000 0.298 271 F C 1.987 177.631 175.800 -0.261 0.000 1.096 271 F CA 2.354 60.211 58.000 -0.238 0.000 1.275 271 F CB 0.049 38.930 39.000 -0.198 0.000 1.008 271 F HN 0.032 nan 8.300 nan 0.000 0.480 272 V N 2.120 121.742 119.914 -0.485 0.000 2.270 272 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 272 V C -0.346 175.494 176.094 -0.422 0.000 1.043 272 V CA 2.215 64.228 62.300 -0.478 0.000 1.014 272 V CB -2.079 29.379 31.823 -0.609 0.000 0.645 272 V HN 0.226 nan 8.190 nan 0.000 0.447 273 P HA -0.125 nan 4.420 nan 0.000 0.216 273 P C 1.773 179.031 177.300 -0.071 0.000 1.150 273 P CA 2.062 65.156 63.100 -0.010 0.000 0.837 273 P CB -0.308 31.510 31.700 0.198 0.000 0.786 274 G N 0.569 109.246 108.800 -0.204 0.000 2.421 274 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 274 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 274 G C 1.532 176.265 174.900 -0.279 0.000 1.171 274 G CA 0.683 45.645 45.100 -0.230 0.000 0.775 274 G HN 0.249 nan 8.290 nan 0.000 0.543 275 L N 1.404 122.371 121.223 -0.427 0.000 2.046 275 L HA 0.155 4.495 4.340 -0.000 0.000 0.208 275 L C 3.057 179.876 176.870 -0.085 0.000 1.077 275 L CA 2.113 56.757 54.840 -0.326 0.000 0.747 275 L CB -0.732 41.058 42.059 -0.448 0.000 0.896 275 L HN 0.236 nan 8.230 nan 0.000 0.432 276 A N -0.195 122.532 122.820 -0.156 0.000 1.908 276 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 276 A C 2.276 179.751 177.584 -0.180 0.000 1.181 276 A CA 2.314 54.102 52.037 -0.415 0.000 0.627 276 A CB -0.935 17.700 19.000 -0.609 0.000 0.818 276 A HN 0.525 nan 8.150 nan 0.000 0.445 277 I N -1.041 119.443 120.570 -0.144 0.000 2.202 277 I HA -0.215 3.955 4.170 -0.000 0.000 0.242 277 I C 2.387 178.451 176.117 -0.089 0.000 1.091 277 I CA 1.043 62.246 61.300 -0.161 0.000 1.368 277 I CB -0.272 37.553 38.000 -0.292 0.000 1.058 277 I HN 0.371 nan 8.210 nan 0.000 0.410 278 L N 0.593 121.769 121.223 -0.079 0.000 2.013 278 L HA -0.273 4.067 4.340 -0.000 0.000 0.212 278 L C 2.543 179.445 176.870 0.054 0.000 1.073 278 L CA 1.928 56.764 54.840 -0.008 0.000 0.753 278 L CB -0.776 41.242 42.059 -0.069 0.000 0.890 278 L HN 0.324 nan 8.230 nan 0.000 0.432 279 C N -0.331 118.974 119.300 0.008 0.000 2.429 279 C HA -0.079 4.381 4.460 -0.000 0.000 0.277 279 C C 2.792 177.843 174.990 0.101 0.000 1.262 279 C CA 0.619 59.670 59.018 0.056 0.000 1.733 279 C CB -1.995 25.816 27.740 0.117 0.000 2.010 279 C HN 0.762 nan 8.230 nan 0.000 0.483 280 G N 0.340 109.165 108.800 0.042 0.000 2.440 280 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.218 280 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.218 280 G C 1.654 176.587 174.900 0.056 0.000 1.154 280 G CA 1.382 46.501 45.100 0.031 0.000 0.767 280 G HN 0.408 nan 8.290 nan 0.000 0.552 281 V N 0.207 120.164 119.914 0.071 0.000 2.261 281 V HA -0.102 4.018 4.120 -0.000 0.000 0.246 281 V C 2.469 178.629 176.094 0.110 0.000 1.047 281 V CA 1.582 63.917 62.300 0.058 0.000 1.015 281 V CB -0.673 31.178 31.823 0.047 0.000 0.642 281 V HN 0.279 nan 8.190 nan 0.000 0.446 282 F N 0.840 120.788 119.950 -0.003 0.000 2.126 282 F HA -0.179 4.348 4.527 -0.000 0.000 0.299 282 F C 2.304 178.137 175.800 0.054 0.000 1.096 282 F CA 1.811 59.832 58.000 0.034 0.000 1.255 282 F CB -0.673 38.351 39.000 0.040 0.000 0.997 282 F HN 0.222 nan 8.300 nan 0.000 0.479 283 D N -0.104 120.433 120.400 0.229 0.000 2.104 283 D HA -0.181 4.459 4.640 -0.000 0.000 0.194 283 D C 2.355 178.717 176.300 0.104 0.000 0.994 283 D CA 1.643 55.730 54.000 0.145 0.000 0.830 283 D CB -0.710 40.153 40.800 0.105 0.000 0.959 283 D HN 0.251 nan 8.370 nan 0.000 0.452 284 A N 0.196 123.063 122.820 0.078 0.000 1.898 284 A HA -0.035 4.285 4.320 -0.000 0.000 0.216 284 A C 2.262 179.890 177.584 0.074 0.000 1.181 284 A CA 0.861 52.931 52.037 0.055 0.000 0.620 284 A CB -0.478 18.529 19.000 0.011 0.000 0.819 284 A HN 0.226 nan 8.150 nan 0.000 0.442 285 L N -1.932 119.333 121.223 0.071 0.000 2.554 285 L HA 0.317 4.657 4.340 -0.000 0.000 0.225 285 L C 1.334 178.331 176.870 0.213 0.000 1.104 285 L CA 0.391 55.327 54.840 0.160 0.000 0.866 285 L CB -0.124 41.998 42.059 0.106 0.000 1.047 285 L HN 0.492 nan 8.230 nan 0.000 0.468 286 A N 1.135 124.029 122.820 0.124 0.000 2.846 286 A HA -0.179 4.141 4.320 -0.000 0.000 0.287 286 A C 0.316 177.971 177.584 0.117 0.000 1.469 286 A CA 0.197 52.304 52.037 0.117 0.000 0.757 286 A CB -2.364 16.694 19.000 0.097 0.000 1.033 286 A HN 0.198 nan 8.150 nan 0.000 0.516 287 I N 0.014 120.567 120.570 -0.028 0.000 2.618 287 I HA 0.092 4.262 4.170 -0.000 0.000 0.284 287 I C 1.655 177.748 176.117 -0.040 0.000 1.146 287 I CA 0.444 61.661 61.300 -0.139 0.000 1.425 287 I CB 0.351 37.667 38.000 -1.140 0.000 1.383 287 I HN 0.504 nan 8.210 nan 0.000 0.562 288 R N 3.649 124.210 120.500 0.103 0.000 2.128 288 R HA 0.182 4.522 4.340 -0.000 0.000 0.211 288 R C -0.135 176.284 176.300 0.199 0.000 1.067 288 R CA 0.469 56.661 56.100 0.154 0.000 1.010 288 R CB 0.380 30.745 30.300 0.107 0.000 0.922 288 R HN 0.627 nan 8.270 nan 0.000 0.457 289 E N 0.704 121.001 120.200 0.163 0.000 2.278 289 E HA 0.344 4.694 4.350 -0.000 0.000 0.272 289 E C -1.813 174.864 176.600 0.128 0.000 0.890 289 E CA -0.443 56.057 56.400 0.167 0.000 0.770 289 E CB 2.795 32.567 29.700 0.119 0.000 1.212 289 E HN -0.075 nan 8.360 nan 0.000 0.415 290 L N 2.588 123.921 121.223 0.183 0.000 2.409 290 L HA 0.549 4.889 4.340 -0.000 0.000 0.272 290 L C -1.105 175.816 176.870 0.086 0.000 0.980 290 L CA -0.426 54.488 54.840 0.124 0.000 0.826 290 L CB 1.321 43.524 42.059 0.239 0.000 1.268 290 L HN 0.416 nan 8.230 nan 0.000 0.407 291 R N 3.052 123.561 120.500 0.016 0.000 2.668 291 R HA 0.528 4.868 4.340 -0.000 0.000 0.279 291 R C -1.202 175.063 176.300 -0.057 0.000 0.976 291 R CA -1.057 55.022 56.100 -0.035 0.000 0.978 291 R CB 2.010 32.283 30.300 -0.044 0.000 1.133 291 R HN 0.537 nan 8.270 nan 0.000 0.484 292 L N 1.180 122.331 121.223 -0.119 0.000 2.349 292 L HA 0.231 4.571 4.340 -0.000 0.000 0.275 292 L C -0.164 176.658 176.870 -0.081 0.000 1.115 292 L CA 0.593 55.376 54.840 -0.096 0.000 0.820 292 L CB 1.516 43.491 42.059 -0.140 0.000 1.135 292 L HN 0.505 nan 8.230 nan 0.000 0.445 293 S N 1.701 117.369 115.700 -0.052 0.000 2.565 293 S HA 0.405 4.875 4.470 -0.000 0.000 0.290 293 S C 0.337 174.917 174.600 -0.033 0.000 1.150 293 S CA -0.340 57.831 58.200 -0.048 0.000 1.058 293 S CB 0.997 64.165 63.200 -0.053 0.000 1.032 293 S HN 0.773 nan 8.310 nan 0.000 0.510 294 D N 2.419 122.803 120.400 -0.027 0.000 2.348 294 D HA 0.195 4.835 4.640 -0.000 0.000 0.211 294 D C 0.988 177.280 176.300 -0.013 0.000 0.998 294 D CA 0.090 54.082 54.000 -0.014 0.000 0.873 294 D CB -0.506 40.292 40.800 -0.004 0.000 0.925 294 D HN 0.502 nan 8.370 nan 0.000 0.524 295 G N -0.687 108.103 108.800 -0.018 0.000 2.451 295 G HA2 0.638 4.598 3.960 -0.000 0.000 0.303 295 G HA3 0.638 4.598 3.960 -0.000 0.000 0.303 295 G C -0.411 174.478 174.900 -0.017 0.000 1.166 295 G CA -0.031 45.063 45.100 -0.009 0.000 0.884 295 G HN 0.397 nan 8.290 nan 0.000 0.514 296 A N 0.332 123.150 122.820 -0.004 0.000 4.812 296 A HA 0.581 4.901 4.320 -0.000 0.000 0.246 296 A C 0.949 178.549 177.584 0.026 0.000 0.986 296 A CA 0.207 52.242 52.037 -0.003 0.000 0.616 296 A CB -0.411 18.566 19.000 -0.038 0.000 1.826 296 A HN 1.293 nan 8.150 nan 0.000 0.887 297 L N 1.047 122.285 121.223 0.026 0.000 1.994 297 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 297 L C 2.713 179.622 176.870 0.065 0.000 1.071 297 L CA 3.180 58.053 54.840 0.056 0.000 0.745 297 L CB -0.833 41.263 42.059 0.061 0.000 0.892 297 L HN 0.822 nan 8.230 nan 0.000 0.431 298 R N -0.860 119.666 120.500 0.044 0.000 2.096 298 R HA -0.186 4.154 4.340 -0.000 0.000 0.235 298 R C 1.813 178.160 176.300 0.079 0.000 1.127 298 R CA 1.763 57.895 56.100 0.054 0.000 0.968 298 R CB -0.675 29.647 30.300 0.037 0.000 0.861 298 R HN 0.333 nan 8.270 nan 0.000 0.440 299 E N 0.707 120.964 120.200 0.094 0.000 2.106 299 E HA -0.025 4.325 4.350 -0.000 0.000 0.192 299 E C 2.044 178.795 176.600 0.252 0.000 0.984 299 E CA 1.435 57.943 56.400 0.180 0.000 0.806 299 E CB -0.396 29.403 29.700 0.165 0.000 0.750 299 E HN 0.616 nan 8.360 nan 0.000 0.458 300 G N 0.256 109.157 108.800 0.169 0.000 2.402 300 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 300 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 300 G C 1.717 176.717 174.900 0.167 0.000 1.162 300 G CA 0.854 46.062 45.100 0.180 0.000 0.777 300 G HN 0.187 nan 8.290 nan 0.000 0.539 301 V N 0.561 120.551 119.914 0.127 0.000 2.295 301 V HA -0.131 3.989 4.120 -0.000 0.000 0.246 301 V C 2.724 178.874 176.094 0.093 0.000 1.049 301 V CA 1.591 63.948 62.300 0.095 0.000 1.024 301 V CB -0.466 31.401 31.823 0.074 0.000 0.648 301 V HN 0.317 nan 8.190 nan 0.000 0.447 302 L N -0.984 120.312 121.223 0.121 0.000 2.012 302 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 302 L C 2.292 179.196 176.870 0.057 0.000 1.073 302 L CA 2.112 57.035 54.840 0.139 0.000 0.748 302 L CB -0.632 41.478 42.059 0.085 0.000 0.891 302 L HN 0.338 nan 8.230 nan 0.000 0.431 303 Y N -0.364 119.921 120.300 -0.024 0.000 2.352 303 Y HA -0.157 4.393 4.550 -0.000 0.000 0.292 303 Y C 2.568 178.377 175.900 -0.150 0.000 1.136 303 Y CA 1.227 59.216 58.100 -0.185 0.000 1.227 303 Y CB -0.151 37.977 38.460 -0.552 0.000 0.991 303 Y HN 0.253 nan 8.280 nan 0.000 0.545 304 E N 0.170 120.405 120.200 0.060 0.000 2.047 304 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 304 E C 2.261 178.818 176.600 -0.072 0.000 0.987 304 E CA 1.708 58.118 56.400 0.016 0.000 0.799 304 E CB -0.430 29.296 29.700 0.043 0.000 0.752 304 E HN 0.633 nan 8.360 nan 0.000 0.449 305 M N 0.257 119.792 119.600 -0.108 0.000 2.159 305 M HA -0.095 4.385 4.480 -0.000 0.000 0.263 305 M C 1.962 178.036 176.300 -0.378 0.000 1.063 305 M CA 1.717 56.897 55.300 -0.199 0.000 1.110 305 M CB -0.368 32.136 32.600 -0.160 0.000 1.374 305 M HN -0.168 nan 8.290 nan 0.000 0.411 306 E N 1.085 120.978 120.200 -0.513 0.000 2.106 306 E HA -0.015 4.335 4.350 -0.000 0.000 0.192 306 E C 2.208 178.609 176.600 -0.332 0.000 0.984 306 E CA 1.849 57.866 56.400 -0.638 0.000 0.806 306 E CB -0.577 28.703 29.700 -0.700 0.000 0.750 306 E HN 0.625 nan 8.360 nan 0.000 0.458 307 G N 0.072 108.749 108.800 -0.204 0.000 2.408 307 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 307 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 307 G C 1.646 176.470 174.900 -0.127 0.000 1.150 307 G CA 0.677 45.705 45.100 -0.119 0.000 0.776 307 G HN 0.172 nan 8.290 nan 0.000 0.542 308 R N -0.781 119.631 120.500 -0.147 0.000 2.096 308 R HA -0.027 4.313 4.340 -0.000 0.000 0.235 308 R C 2.699 178.844 176.300 -0.258 0.000 1.127 308 R CA 1.610 57.621 56.100 -0.148 0.000 0.968 308 R CB -0.786 29.445 30.300 -0.116 0.000 0.861 308 R HN 0.402 nan 8.270 nan 0.000 0.440 309 F N 1.101 120.876 119.950 -0.291 0.000 2.269 309 F HA -0.069 4.458 4.527 -0.000 0.000 0.301 309 F C 1.959 177.535 175.800 -0.374 0.000 1.082 309 F CA 1.316 59.115 58.000 -0.335 0.000 1.360 309 F CB -0.615 38.200 39.000 -0.307 0.000 1.041 309 F HN 0.110 nan 8.300 nan 0.000 0.512 310 R N -1.208 119.136 120.500 -0.260 0.000 2.426 310 R HA 0.137 4.477 4.340 -0.000 0.000 0.263 310 R C 0.068 176.351 176.300 -0.027 0.000 0.961 310 R CA 0.306 56.328 56.100 -0.130 0.000 1.086 310 R CB -0.638 29.622 30.300 -0.067 0.000 1.186 310 R HN 0.727 nan 8.270 nan 0.000 0.537 311 H N -1.262 117.787 119.070 -0.036 0.000 2.958 311 H HA -0.179 4.377 4.556 -0.000 0.000 0.274 311 H C -0.376 174.951 175.328 -0.001 0.000 1.184 311 H CA 0.631 56.670 56.048 -0.016 0.000 1.143 311 H CB -1.317 28.438 29.762 -0.012 0.000 1.297 311 H HN 0.273 nan 8.280 nan 0.000 0.356 312 Q N 1.492 121.319 119.800 0.046 0.000 2.377 312 Q HA 0.296 4.636 4.340 -0.000 0.000 0.249 312 Q C -0.512 175.507 176.000 0.032 0.000 1.005 312 Q CA -0.088 55.739 55.803 0.040 0.000 0.912 312 Q CB 0.821 29.567 28.738 0.014 0.000 1.223 312 Q HN 0.219 nan 8.270 nan 0.000 0.459 313 D N 2.518 122.956 120.400 0.063 0.000 2.505 313 D HA 0.081 4.721 4.640 -0.000 0.000 0.250 313 D C 0.725 177.057 176.300 0.054 0.000 1.164 313 D CA -0.464 53.572 54.000 0.059 0.000 0.870 313 D CB 1.498 42.368 40.800 0.116 0.000 1.160 313 D HN 0.350 nan 8.370 nan 0.000 0.549 314 V N 3.209 123.138 119.914 0.025 0.000 2.720 314 V HA -0.157 3.963 4.120 -0.000 0.000 0.256 314 V C 1.922 178.009 176.094 -0.013 0.000 1.082 314 V CA 1.164 63.479 62.300 0.025 0.000 1.101 314 V CB -0.590 31.258 31.823 0.041 0.000 0.693 314 V HN 0.414 nan 8.190 nan 0.000 0.479 315 R N 0.647 121.085 120.500 -0.103 0.000 2.152 315 R HA -0.080 4.260 4.340 -0.000 0.000 0.232 315 R C 2.627 178.775 176.300 -0.253 0.000 1.117 315 R CA 1.545 57.465 56.100 -0.300 0.000 0.981 315 R CB -0.537 29.244 30.300 -0.865 0.000 0.870 315 R HN 0.610 nan 8.270 nan 0.000 0.451 316 S N 0.550 116.274 115.700 0.039 0.000 2.368 316 S HA -0.118 4.352 4.470 -0.000 0.000 0.225 316 S C 1.819 176.474 174.600 0.090 0.000 1.030 316 S CA 1.230 59.552 58.200 0.204 0.000 0.999 316 S CB -0.075 63.275 63.200 0.249 0.000 0.844 316 S HN 0.306 nan 8.310 nan 0.000 0.459 317 R N 0.519 121.051 120.500 0.055 0.000 2.075 317 R HA -0.015 4.325 4.340 -0.000 0.000 0.232 317 R C 2.536 178.844 176.300 0.014 0.000 1.126 317 R CA 1.625 57.750 56.100 0.040 0.000 0.963 317 R CB -0.756 29.569 30.300 0.042 0.000 0.858 317 R HN 0.287 nan 8.270 nan 0.000 0.435 318 T N 0.697 115.248 114.554 -0.005 0.000 2.684 318 T HA -0.194 4.156 4.350 -0.000 0.000 0.267 318 T C 1.906 176.571 174.700 -0.058 0.000 1.036 318 T CA 1.594 63.684 62.100 -0.016 0.000 1.148 318 T CB -0.288 68.603 68.868 0.037 0.000 0.863 318 T HN 0.408 nan 8.240 nan 0.000 0.436 319 A N 1.702 124.452 122.820 -0.116 0.000 1.898 319 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 319 A C 2.600 180.191 177.584 0.012 0.000 1.181 319 A CA 2.117 54.092 52.037 -0.103 0.000 0.620 319 A CB -0.882 18.003 19.000 -0.192 0.000 0.819 319 A HN 0.610 nan 8.150 nan 0.000 0.442 320 S N -0.708 115.016 115.700 0.040 0.000 2.383 320 S HA -0.147 4.323 4.470 -0.000 0.000 0.227 320 S C 2.145 176.759 174.600 0.023 0.000 1.026 320 S CA 1.706 59.937 58.200 0.050 0.000 0.981 320 S CB -0.754 62.480 63.200 0.058 0.000 0.818 320 S HN 0.520 nan 8.310 nan 0.000 0.472 321 S N 1.173 116.880 115.700 0.011 0.000 2.383 321 S HA 0.111 4.581 4.470 -0.000 0.000 0.227 321 S C 1.837 176.440 174.600 0.006 0.000 1.026 321 S CA 0.896 59.094 58.200 -0.003 0.000 0.981 321 S CB -0.655 62.543 63.200 -0.004 0.000 0.818 321 S HN 0.573 nan 8.310 nan 0.000 0.472 322 L N 1.039 122.282 121.223 0.032 0.000 2.046 322 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 322 L C 2.952 179.904 176.870 0.137 0.000 1.077 322 L CA 1.319 56.226 54.840 0.112 0.000 0.747 322 L CB -0.786 41.306 42.059 0.056 0.000 0.896 322 L HN 0.439 nan 8.230 nan 0.000 0.432 323 A N -0.001 122.858 122.820 0.065 0.000 1.917 323 A HA -0.282 4.038 4.320 -0.000 0.000 0.219 323 A C 2.141 179.719 177.584 -0.010 0.000 1.182 323 A CA 2.233 54.300 52.037 0.050 0.000 0.633 323 A CB -0.732 18.294 19.000 0.044 0.000 0.819 323 A HN 0.518 nan 8.150 nan 0.000 0.448 324 N N -0.539 118.126 118.700 -0.059 0.000 2.135 324 N HA -0.185 4.555 4.740 -0.000 0.000 0.186 324 N C 2.011 177.312 175.510 -0.349 0.000 1.027 324 N CA 1.630 54.572 53.050 -0.181 0.000 0.849 324 N CB -0.333 38.094 38.487 -0.100 0.000 1.002 324 N HN 0.720 nan 8.380 nan 0.000 0.425 325 Q N -0.743 118.922 119.800 -0.226 0.000 2.152 325 Q HA -0.178 4.162 4.340 -0.000 0.000 0.206 325 Q C 0.655 176.376 176.000 -0.465 0.000 0.985 325 Q CA 1.573 57.168 55.803 -0.348 0.000 0.863 325 Q CB -0.077 28.470 28.738 -0.319 0.000 0.904 325 Q HN 0.524 nan 8.270 nan 0.000 0.422 326 Y N -1.057 119.179 120.300 -0.106 0.000 2.485 326 Y HA 0.151 4.701 4.550 -0.000 0.000 0.260 326 Y C -0.530 175.431 175.900 0.102 0.000 1.173 326 Y CA -0.040 58.077 58.100 0.028 0.000 1.252 326 Y CB 0.381 38.852 38.460 0.019 0.000 1.123 326 Y HN 0.250 nan 8.280 nan 0.000 0.524 327 H N -0.532 118.596 119.070 0.096 0.000 2.604 327 H HA -0.188 4.368 4.556 -0.000 0.000 0.321 327 H C -0.200 175.171 175.328 0.072 0.000 1.132 327 H CA 0.367 56.454 56.048 0.064 0.000 1.129 327 H CB -2.015 27.772 29.762 0.041 0.000 1.526 327 H HN 0.316 nan 8.280 nan 0.000 0.415 328 I N 0.851 121.492 120.570 0.118 0.000 2.588 328 I HA -0.031 4.139 4.170 -0.000 0.000 0.283 328 I C 1.035 177.194 176.117 0.071 0.000 1.119 328 I CA -0.011 61.337 61.300 0.080 0.000 1.419 328 I CB 0.451 38.480 38.000 0.048 0.000 1.394 328 I HN 0.333 nan 8.210 nan 0.000 0.562 329 D N 5.020 125.456 120.400 0.060 0.000 2.349 329 D HA -0.036 4.604 4.640 -0.000 0.000 0.266 329 D C 1.254 177.587 176.300 0.055 0.000 1.293 329 D CA 0.109 54.145 54.000 0.060 0.000 0.926 329 D CB 0.933 41.769 40.800 0.059 0.000 1.090 329 D HN 0.609 nan 8.370 nan 0.000 0.502 330 S N 2.877 118.611 115.700 0.057 0.000 2.402 330 S HA -0.183 4.286 4.470 -0.000 0.000 0.229 330 S C 1.629 176.266 174.600 0.062 0.000 1.021 330 S CA 0.825 59.060 58.200 0.058 0.000 0.974 330 S CB -0.123 63.109 63.200 0.053 0.000 0.800 330 S HN 0.639 nan 8.310 nan 0.000 0.484 331 E N 0.756 120.992 120.200 0.060 0.000 2.072 331 E HA -0.205 4.144 4.350 -0.000 0.000 0.191 331 E C 2.275 178.920 176.600 0.074 0.000 0.985 331 E CA 1.139 57.576 56.400 0.061 0.000 0.801 331 E CB -0.171 29.562 29.700 0.056 0.000 0.750 331 E HN 0.602 nan 8.360 nan 0.000 0.452 332 Q N 0.525 120.373 119.800 0.081 0.000 2.079 332 Q HA -0.096 4.244 4.340 -0.000 0.000 0.200 332 Q C 1.828 177.911 176.000 0.137 0.000 0.974 332 Q CA 1.866 57.733 55.803 0.107 0.000 0.840 332 Q CB -0.382 28.419 28.738 0.105 0.000 0.898 332 Q HN 0.303 nan 8.270 nan 0.000 0.430 333 A N 0.643 123.532 122.820 0.116 0.000 1.883 333 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 333 A C 2.193 179.850 177.584 0.122 0.000 1.186 333 A CA 1.782 53.904 52.037 0.142 0.000 0.624 333 A CB -0.700 18.358 19.000 0.096 0.000 0.822 333 A HN 0.427 nan 8.150 nan 0.000 0.444 334 R N -0.754 119.800 120.500 0.089 0.000 2.096 334 R HA -0.090 4.250 4.340 -0.000 0.000 0.235 334 R C 2.468 178.807 176.300 0.064 0.000 1.127 334 R CA 1.356 57.496 56.100 0.067 0.000 0.968 334 R CB -0.229 30.104 30.300 0.055 0.000 0.861 334 R HN 0.525 nan 8.270 nan 0.000 0.440 335 R N -0.348 120.198 120.500 0.076 0.000 2.083 335 R HA -0.113 4.227 4.340 -0.000 0.000 0.237 335 R C 2.256 178.597 176.300 0.069 0.000 1.137 335 R CA 1.716 57.860 56.100 0.074 0.000 0.951 335 R CB -0.307 30.046 30.300 0.088 0.000 0.851 335 R HN 0.115 nan 8.270 nan 0.000 0.434 336 V N 1.315 121.280 119.914 0.085 0.000 2.358 336 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 336 V C 2.213 178.318 176.094 0.019 0.000 1.047 336 V CA 1.438 63.764 62.300 0.042 0.000 1.035 336 V CB -0.428 31.403 31.823 0.014 0.000 0.658 336 V HN 0.266 nan 8.190 nan 0.000 0.452 337 L N 0.455 121.700 121.223 0.036 0.000 2.012 337 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 337 L C 2.080 178.952 176.870 0.003 0.000 1.073 337 L CA 2.205 57.051 54.840 0.011 0.000 0.748 337 L CB -0.857 41.212 42.059 0.017 0.000 0.891 337 L HN 0.292 nan 8.230 nan 0.000 0.431 338 D N -1.091 119.318 120.400 0.016 0.000 2.117 338 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 338 D C 2.105 178.411 176.300 0.010 0.000 0.987 338 D CA 1.853 55.859 54.000 0.010 0.000 0.829 338 D CB -0.356 40.454 40.800 0.017 0.000 0.961 338 D HN 0.385 nan 8.370 nan 0.000 0.460 339 T N 0.129 114.694 114.554 0.019 0.000 2.708 339 T HA -0.109 4.241 4.350 -0.000 0.000 0.266 339 T C 2.020 176.733 174.700 0.023 0.000 1.037 339 T CA 1.780 63.891 62.100 0.018 0.000 1.146 339 T CB -0.551 68.339 68.868 0.037 0.000 0.865 339 T HN 0.143 nan 8.240 nan 0.000 0.435 340 T N 2.356 116.925 114.554 0.025 0.000 2.684 340 T HA -0.062 4.288 4.350 -0.000 0.000 0.267 340 T C 1.934 176.674 174.700 0.065 0.000 1.036 340 T CA 1.058 63.182 62.100 0.040 0.000 1.148 340 T CB -0.237 68.636 68.868 0.008 0.000 0.863 340 T HN 0.162 nan 8.240 nan 0.000 0.436 341 M N 1.127 120.748 119.600 0.036 0.000 2.319 341 M HA 0.084 4.564 4.480 -0.000 0.000 0.265 341 M C 2.240 178.598 176.300 0.096 0.000 1.068 341 M CA 0.827 56.163 55.300 0.061 0.000 1.118 341 M CB -1.197 31.392 32.600 -0.019 0.000 1.395 341 M HN 0.206 nan 8.290 nan 0.000 0.435 342 Q N 0.244 120.069 119.800 0.042 0.000 2.124 342 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 342 Q C 1.908 177.914 176.000 0.009 0.000 0.977 342 Q CA 1.362 57.173 55.803 0.012 0.000 0.850 342 Q CB -0.048 28.675 28.738 -0.024 0.000 0.901 342 Q HN 0.503 nan 8.270 nan 0.000 0.429 343 M N -1.179 118.436 119.600 0.024 0.000 2.193 343 M HA -0.138 4.342 4.480 -0.000 0.000 0.265 343 M C 1.997 178.325 176.300 0.047 0.000 1.071 343 M CA 1.045 56.345 55.300 0.000 0.000 1.140 343 M CB -0.441 32.169 32.600 0.017 0.000 1.369 343 M HN 0.167 nan 8.290 nan 0.000 0.423 344 Y N 1.867 122.177 120.300 0.016 0.000 2.102 344 Y HA -0.328 4.222 4.550 -0.000 0.000 0.280 344 Y C 2.290 178.269 175.900 0.131 0.000 1.178 344 Y CA 1.862 60.019 58.100 0.094 0.000 1.146 344 Y CB -0.104 38.392 38.460 0.059 0.000 0.968 344 Y HN 0.180 nan 8.280 nan 0.000 0.504 345 E N 0.227 120.524 120.200 0.162 0.000 2.153 345 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 345 E C 2.081 178.621 176.600 -0.100 0.000 0.988 345 E CA 1.618 58.043 56.400 0.042 0.000 0.811 345 E CB -0.260 29.476 29.700 0.061 0.000 0.746 345 E HN 0.727 nan 8.360 nan 0.000 0.466 346 Q N -0.848 118.893 119.800 -0.099 0.000 2.049 346 Q HA -0.136 4.204 4.340 -0.000 0.000 0.198 346 Q C 2.018 177.885 176.000 -0.221 0.000 0.971 346 Q CA 1.152 56.861 55.803 -0.156 0.000 0.833 346 Q CB -0.334 28.312 28.738 -0.152 0.000 0.896 346 Q HN 0.320 nan 8.270 nan 0.000 0.434 347 W N 2.334 123.383 121.300 -0.419 0.000 2.317 347 W HA -0.263 4.397 4.660 -0.000 0.000 0.318 347 W C 2.297 178.563 176.519 -0.422 0.000 1.227 347 W CA 2.009 59.058 57.345 -0.493 0.000 1.269 347 W CB -0.196 28.941 29.460 -0.539 0.000 1.155 347 W HN -0.024 nan 8.180 nan 0.000 0.484 348 R N 0.596 120.730 120.500 -0.612 0.000 2.091 348 R HA -0.242 4.098 4.340 -0.000 0.000 0.238 348 R C 2.328 178.295 176.300 -0.555 0.000 1.136 348 R CA 2.006 57.642 56.100 -0.773 0.000 0.959 348 R CB -0.966 29.014 30.300 -0.532 0.000 0.856 348 R HN 0.229 nan 8.270 nan 0.000 0.437 349 E N 0.652 120.625 120.200 -0.379 0.000 2.160 349 E HA -0.237 4.113 4.350 -0.000 0.000 0.195 349 E C 1.588 178.009 176.600 -0.299 0.000 0.991 349 E CA 1.651 57.885 56.400 -0.277 0.000 0.810 349 E CB 0.082 29.662 29.700 -0.201 0.000 0.742 349 E HN 0.604 nan 8.360 nan 0.000 0.466 350 Q N -0.853 118.720 119.800 -0.378 0.000 2.376 350 Q HA 0.019 4.359 4.340 -0.000 0.000 0.206 350 Q C 0.353 176.119 176.000 -0.391 0.000 0.921 350 Q CA 0.380 55.980 55.803 -0.338 0.000 0.911 350 Q CB 0.537 29.088 28.738 -0.313 0.000 1.032 350 Q HN 0.093 nan 8.270 nan 0.000 0.510 351 Q N -0.060 119.379 119.800 -0.601 0.000 2.928 351 Q HA 0.128 4.468 4.340 -0.000 0.000 0.353 351 Q C -2.059 173.569 176.000 -0.621 0.000 0.870 351 Q CA -1.194 54.252 55.803 -0.594 0.000 0.963 351 Q CB 1.197 29.532 28.738 -0.671 0.000 1.419 351 Q HN 0.054 nan 8.270 nan 0.000 0.396 352 P HA -0.263 nan 4.420 nan 0.000 0.218 352 P C 0.838 177.955 177.300 -0.305 0.000 1.148 352 P CA 1.268 64.150 63.100 -0.362 0.000 0.822 352 P CB 0.320 31.873 31.700 -0.245 0.000 0.784 353 K N 0.115 120.372 120.400 -0.238 0.000 2.362 353 K HA -0.023 4.297 4.320 -0.000 0.000 0.200 353 K C 1.873 178.374 176.600 -0.166 0.000 1.046 353 K CA 0.988 57.177 56.287 -0.163 0.000 0.952 353 K CB -0.722 31.728 32.500 -0.084 0.000 0.753 353 K HN 0.162 nan 8.250 nan 0.000 0.466 354 L N 0.670 121.772 121.223 -0.201 0.000 2.554 354 L HA 0.260 4.600 4.340 -0.000 0.000 0.225 354 L C 0.768 177.653 176.870 0.025 0.000 1.104 354 L CA -0.412 54.422 54.840 -0.009 0.000 0.866 354 L CB 0.177 42.294 42.059 0.097 0.000 1.047 354 L HN 0.187 nan 8.230 nan 0.000 0.468 355 A N -0.031 122.630 122.820 -0.264 0.000 2.328 355 A HA 0.456 4.776 4.320 -0.000 0.000 0.284 355 A C -0.685 176.734 177.584 -0.276 0.000 1.160 355 A CA -0.050 51.956 52.037 -0.052 0.000 0.818 355 A CB -0.017 18.892 19.000 -0.152 0.000 1.087 355 A HN 0.228 nan 8.150 nan 0.000 0.504 356 H N 2.635 121.865 119.070 0.267 0.000 2.759 356 H HA 0.222 4.778 4.556 -0.000 0.000 0.354 356 H C -2.207 173.228 175.328 0.179 0.000 1.074 356 H CA -1.499 54.666 56.048 0.196 0.000 1.226 356 H CB 1.902 31.787 29.762 0.204 0.000 1.648 356 H HN 0.378 nan 8.280 nan 0.000 0.529 357 P HA -0.186 nan 4.420 nan 0.000 0.218 357 P C 1.664 179.020 177.300 0.093 0.000 1.148 357 P CA 1.323 64.497 63.100 0.124 0.000 0.822 357 P CB 0.565 32.321 31.700 0.094 0.000 0.784 358 Q N -0.294 119.599 119.800 0.155 0.000 2.050 358 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 358 Q C 2.025 178.070 176.000 0.075 0.000 0.980 358 Q CA 1.334 57.220 55.803 0.138 0.000 0.840 358 Q CB -0.648 28.229 28.738 0.232 0.000 0.898 358 Q HN 0.200 nan 8.270 nan 0.000 0.424 359 L N 0.634 121.913 121.223 0.094 0.000 2.141 359 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 359 L C 2.554 179.395 176.870 -0.049 0.000 1.094 359 L CA 1.329 56.150 54.840 -0.032 0.000 0.763 359 L CB -0.414 41.678 42.059 0.054 0.000 0.908 359 L HN 0.433 nan 8.230 nan 0.000 0.437 360 E N 0.529 120.711 120.200 -0.030 0.000 2.051 360 E HA -0.266 4.084 4.350 -0.000 0.000 0.192 360 E C 2.230 178.641 176.600 -0.315 0.000 0.991 360 E CA 1.281 57.529 56.400 -0.254 0.000 0.799 360 E CB -0.011 29.541 29.700 -0.247 0.000 0.748 360 E HN 0.450 nan 8.360 nan 0.000 0.449 361 A N 1.174 123.830 122.820 -0.273 0.000 1.908 361 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 361 A C 2.233 179.576 177.584 -0.403 0.000 1.181 361 A CA 1.372 53.117 52.037 -0.487 0.000 0.627 361 A CB -0.682 18.056 19.000 -0.436 0.000 0.818 361 A HN 0.337 nan 8.150 nan 0.000 0.445 362 L N -1.188 119.985 121.223 -0.083 0.000 2.093 362 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 362 L C 2.542 179.433 176.870 0.034 0.000 1.085 362 L CA 1.003 55.914 54.840 0.119 0.000 0.755 362 L CB -0.553 41.517 42.059 0.019 0.000 0.904 362 L HN 0.477 nan 8.230 nan 0.000 0.435 363 L N 0.113 121.280 121.223 -0.094 0.000 2.046 363 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 363 L C 2.725 179.535 176.870 -0.101 0.000 1.077 363 L CA 1.643 56.426 54.840 -0.095 0.000 0.747 363 L CB -0.494 41.471 42.059 -0.156 0.000 0.896 363 L HN 0.067 nan 8.230 nan 0.000 0.432 364 R N -1.312 119.059 120.500 -0.216 0.000 2.083 364 R HA -0.215 4.125 4.340 -0.000 0.000 0.237 364 R C 2.154 178.399 176.300 -0.092 0.000 1.137 364 R CA 2.037 57.994 56.100 -0.238 0.000 0.951 364 R CB -0.617 29.431 30.300 -0.420 0.000 0.851 364 R HN 0.469 nan 8.270 nan 0.000 0.434 365 W N 0.296 121.608 121.300 0.019 0.000 2.388 365 W HA 0.041 4.701 4.660 -0.000 0.000 0.294 365 W C 2.407 178.947 176.519 0.035 0.000 1.212 365 W CA 0.653 58.032 57.345 0.055 0.000 1.271 365 W CB -0.819 28.718 29.460 0.128 0.000 1.126 365 W HN 0.205 nan 8.180 nan 0.000 0.535 366 A N 0.699 123.652 122.820 0.221 0.000 1.908 366 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 366 A C 2.247 179.898 177.584 0.111 0.000 1.181 366 A CA 2.819 54.934 52.037 0.130 0.000 0.627 366 A CB -1.062 17.985 19.000 0.080 0.000 0.818 366 A HN 0.126 nan 8.150 nan 0.000 0.445 367 A N -0.700 122.167 122.820 0.077 0.000 1.902 367 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 367 A C 2.222 179.933 177.584 0.212 0.000 1.181 367 A CA 1.833 53.910 52.037 0.068 0.000 0.623 367 A CB -0.514 18.487 19.000 0.002 0.000 0.818 367 A HN 0.520 nan 8.150 nan 0.000 0.443 368 M N -0.939 118.766 119.600 0.174 0.000 2.296 368 M HA 0.027 4.507 4.480 -0.000 0.000 0.265 368 M C 1.059 177.442 176.300 0.139 0.000 1.064 368 M CA 1.100 56.505 55.300 0.175 0.000 1.109 368 M CB -0.114 32.615 32.600 0.215 0.000 1.396 368 M HN 0.293 nan 8.290 nan 0.000 0.430 369 L N -0.763 120.539 121.223 0.132 0.000 2.808 369 L HA 0.084 4.424 4.340 -0.000 0.000 0.246 369 L C 2.122 178.977 176.870 -0.024 0.000 1.153 369 L CA -0.306 54.556 54.840 0.035 0.000 0.956 369 L CB -0.578 41.496 42.059 0.026 0.000 1.270 369 L HN 0.369 nan 8.230 nan 0.000 0.528 370 H N 0.113 119.129 119.070 -0.090 0.000 2.456 370 H HA -0.103 4.453 4.556 -0.000 0.000 0.296 370 H C 0.727 175.982 175.328 -0.123 0.000 1.079 370 H CA 1.150 57.065 56.048 -0.222 0.000 1.322 370 H CB -0.018 29.403 29.762 -0.568 0.000 1.388 370 H HN 0.480 nan 8.280 nan 0.000 0.538 371 E N 0.964 120.832 120.200 -0.553 0.000 2.444 371 E HA 0.064 4.414 4.350 -0.000 0.000 0.191 371 E C 1.732 178.265 176.600 -0.112 0.000 1.041 371 E CA -0.039 56.187 56.400 -0.291 0.000 0.883 371 E CB 0.579 30.086 29.700 -0.322 0.000 1.024 371 E HN 0.198 nan 8.360 nan 0.000 0.470 372 V N 0.674 120.514 119.914 -0.123 0.000 2.568 372 V HA -0.170 3.950 4.120 -0.000 0.000 0.253 372 V C 1.735 177.716 176.094 -0.189 0.000 1.072 372 V CA 2.282 64.481 62.300 -0.167 0.000 1.084 372 V CB -0.154 31.503 31.823 -0.277 0.000 0.676 372 V HN 0.392 nan 8.190 nan 0.000 0.469 373 G N -1.155 107.599 108.800 -0.077 0.000 3.141 373 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.218 373 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.218 373 G C 1.167 176.123 174.900 0.094 0.000 1.170 373 G CA 0.391 45.499 45.100 0.012 0.000 0.769 373 G HN 0.477 nan 8.290 nan 0.000 0.546 374 L N 0.754 122.031 121.223 0.090 0.000 2.083 374 L HA 0.050 4.390 4.340 -0.000 0.000 0.209 374 L C 1.988 178.932 176.870 0.123 0.000 1.083 374 L CA 1.363 56.278 54.840 0.126 0.000 0.752 374 L CB -0.294 41.838 42.059 0.121 0.000 0.899 374 L HN 0.071 nan 8.230 nan 0.000 0.433 375 N N -0.486 118.295 118.700 0.134 0.000 2.520 375 N HA -0.077 4.663 4.740 -0.000 0.000 0.185 375 N C 1.766 177.321 175.510 0.075 0.000 1.068 375 N CA 1.159 54.281 53.050 0.120 0.000 0.911 375 N CB -0.015 38.571 38.487 0.165 0.000 0.961 375 N HN 0.460 nan 8.380 nan 0.000 0.446 376 I N -0.494 120.104 120.570 0.048 0.000 2.185 376 I HA -0.060 4.110 4.170 -0.000 0.000 0.235 376 I C 0.626 176.698 176.117 -0.075 0.000 1.069 376 I CA 0.712 61.968 61.300 -0.074 0.000 1.354 376 I CB 0.104 37.977 38.000 -0.211 0.000 1.093 376 I HN 0.044 nan 8.210 nan 0.000 0.411 377 N N -1.708 117.000 118.700 0.014 0.000 2.815 377 N HA 0.055 4.795 4.740 -0.000 0.000 0.253 377 N C -0.023 175.628 175.510 0.235 0.000 1.202 377 N CA -0.398 52.727 53.050 0.125 0.000 0.925 377 N CB 1.234 39.784 38.487 0.105 0.000 1.622 377 N HN 0.071 nan 8.380 nan 0.000 0.497 378 H N 0.840 119.993 119.070 0.138 0.000 2.363 378 H HA 0.221 4.777 4.556 -0.000 0.000 0.301 378 H C 0.079 175.491 175.328 0.139 0.000 1.074 378 H CA 1.497 57.627 56.048 0.137 0.000 1.354 378 H CB 0.238 30.063 29.762 0.105 0.000 1.397 378 H HN 0.335 nan 8.280 nan 0.000 0.516 379 S N 0.105 115.915 115.700 0.183 0.000 2.515 379 S HA 0.280 4.750 4.470 -0.000 0.000 0.285 379 S C 1.050 175.677 174.600 0.045 0.000 1.265 379 S CA 0.569 58.840 58.200 0.118 0.000 1.079 379 S CB 0.120 63.404 63.200 0.139 0.000 0.877 379 S HN 0.859 nan 8.310 nan 0.000 0.493 380 G N 2.292 111.023 108.800 -0.114 0.000 2.153 380 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.252 380 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.252 380 G C 0.629 175.091 174.900 -0.731 0.000 0.994 380 G CA 0.341 45.173 45.100 -0.445 0.000 0.698 380 G HN 0.702 nan 8.290 nan 0.000 0.521 381 L N 0.892 121.942 121.223 -0.288 0.000 2.021 381 L HA -0.151 4.189 4.340 -0.000 0.000 0.215 381 L C 2.716 179.537 176.870 -0.081 0.000 1.074 381 L CA 3.418 58.184 54.840 -0.123 0.000 0.760 381 L CB -0.836 41.157 42.059 -0.110 0.000 0.889 381 L HN 0.730 nan 8.230 nan 0.000 0.433 382 H N -2.132 116.798 119.070 -0.232 0.000 2.422 382 H HA -0.098 4.458 4.556 -0.000 0.000 0.298 382 H C 2.209 177.437 175.328 -0.166 0.000 1.098 382 H CA 1.342 57.282 56.048 -0.180 0.000 1.315 382 H CB -0.457 29.035 29.762 -0.450 0.000 1.382 382 H HN 0.347 nan 8.280 nan 0.000 0.523 383 R N 0.076 120.160 120.500 -0.694 0.000 2.073 383 R HA -0.063 4.277 4.340 -0.000 0.000 0.229 383 R C 2.081 178.257 176.300 -0.206 0.000 1.120 383 R CA 1.159 56.965 56.100 -0.489 0.000 0.967 383 R CB -0.125 29.816 30.300 -0.598 0.000 0.862 383 R HN 0.531 nan 8.270 nan 0.000 0.436 384 H N -0.009 118.995 119.070 -0.110 0.000 2.357 384 H HA 0.060 4.616 4.556 -0.000 0.000 0.301 384 H C 2.216 177.537 175.328 -0.010 0.000 1.082 384 H CA 1.170 57.191 56.048 -0.046 0.000 1.342 384 H CB -0.348 29.378 29.762 -0.059 0.000 1.389 384 H HN 0.053 nan 8.280 nan 0.000 0.511 385 S N 0.670 116.419 115.700 0.082 0.000 2.368 385 S HA -0.118 4.352 4.470 -0.000 0.000 0.225 385 S C 2.445 177.048 174.600 0.005 0.000 1.030 385 S CA 1.000 59.213 58.200 0.022 0.000 0.999 385 S CB -0.283 62.959 63.200 0.069 0.000 0.844 385 S HN 0.574 nan 8.310 nan 0.000 0.459 386 A N 0.194 123.025 122.820 0.018 0.000 1.930 386 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 386 A C 1.907 179.487 177.584 -0.007 0.000 1.175 386 A CA 1.385 53.416 52.037 -0.010 0.000 0.627 386 A CB -0.913 18.060 19.000 -0.046 0.000 0.815 386 A HN 0.574 nan 8.150 nan 0.000 0.443 387 Y N 0.373 120.636 120.300 -0.062 0.000 2.128 387 Y HA -0.250 4.300 4.550 -0.000 0.000 0.284 387 Y C 2.007 177.872 175.900 -0.057 0.000 1.154 387 Y CA 1.918 59.992 58.100 -0.044 0.000 1.149 387 Y CB -0.144 38.312 38.460 -0.007 0.000 0.976 387 Y HN 0.266 nan 8.280 nan 0.000 0.505 388 I N 0.181 120.791 120.570 0.066 0.000 2.179 388 I HA -0.306 3.864 4.170 -0.000 0.000 0.242 388 I C 2.377 178.407 176.117 -0.145 0.000 1.088 388 I CA 1.340 62.605 61.300 -0.058 0.000 1.357 388 I CB -1.460 36.398 38.000 -0.237 0.000 1.051 388 I HN 0.288 nan 8.210 nan 0.000 0.409 389 L N -0.375 120.757 121.223 -0.151 0.000 2.141 389 L HA -0.213 4.127 4.340 -0.000 0.000 0.209 389 L C 2.524 179.288 176.870 -0.177 0.000 1.094 389 L CA 1.212 55.947 54.840 -0.175 0.000 0.763 389 L CB -0.550 41.421 42.059 -0.147 0.000 0.908 389 L HN 0.374 nan 8.230 nan 0.000 0.437 390 Q N -0.052 119.645 119.800 -0.171 0.000 2.187 390 Q HA -0.121 4.219 4.340 -0.000 0.000 0.199 390 Q C 1.556 177.434 176.000 -0.203 0.000 0.957 390 Q CA 1.054 56.755 55.803 -0.170 0.000 0.857 390 Q CB 0.289 28.921 28.738 -0.176 0.000 0.929 390 Q HN 0.495 nan 8.270 nan 0.000 0.453 391 N N -0.287 118.250 118.700 -0.271 0.000 2.254 391 N HA 0.092 4.832 4.740 -0.000 0.000 0.190 391 N C -0.223 175.208 175.510 -0.132 0.000 1.107 391 N CA 0.064 52.965 53.050 -0.248 0.000 0.869 391 N CB 0.785 39.007 38.487 -0.442 0.000 0.983 391 N HN 0.003 nan 8.380 nan 0.000 0.487 392 S N 0.745 116.379 115.700 -0.111 0.000 2.655 392 S HA 0.171 4.641 4.470 -0.000 0.000 0.265 392 S C -0.149 174.417 174.600 -0.056 0.000 1.240 392 S CA -0.341 57.827 58.200 -0.054 0.000 0.986 392 S CB 0.983 64.159 63.200 -0.040 0.000 0.985 392 S HN 0.062 nan 8.310 nan 0.000 0.562 393 D N 1.851 122.236 120.400 -0.025 0.000 2.313 393 D HA 0.296 4.936 4.640 -0.000 0.000 0.239 393 D C -0.778 175.505 176.300 -0.028 0.000 1.142 393 D CA 0.002 53.993 54.000 -0.015 0.000 0.847 393 D CB 0.673 41.478 40.800 0.007 0.000 1.082 393 D HN 0.270 nan 8.370 nan 0.000 0.480 394 L N 4.588 125.788 121.223 -0.039 0.000 2.387 394 L HA 0.294 4.634 4.340 -0.000 0.000 0.259 394 L C -2.344 174.609 176.870 0.139 0.000 1.050 394 L CA -1.861 52.949 54.840 -0.050 0.000 0.922 394 L CB 1.310 43.160 42.059 -0.348 0.000 1.280 394 L HN -0.065 nan 8.230 nan 0.000 0.449 395 P HA 0.029 nan 4.420 nan 0.000 0.262 395 P C 0.988 178.383 177.300 0.158 0.000 1.182 395 P CA 0.914 64.087 63.100 0.122 0.000 0.761 395 P CB 0.880 32.626 31.700 0.077 0.000 0.795 396 G N 1.748 110.611 108.800 0.105 0.000 2.258 396 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.233 396 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.233 396 G C -0.034 174.815 174.900 -0.085 0.000 1.006 396 G CA -0.555 44.539 45.100 -0.010 0.000 0.620 396 G HN 0.400 nan 8.290 nan 0.000 0.511 397 F N 2.737 122.675 119.950 -0.021 0.000 2.396 397 F HA 0.540 5.067 4.527 -0.000 0.000 0.343 397 F C 0.940 176.763 175.800 0.038 0.000 1.104 397 F CA -0.450 57.553 58.000 0.006 0.000 1.161 397 F CB 0.938 39.923 39.000 -0.025 0.000 1.146 397 F HN 0.396 nan 8.300 nan 0.000 0.522 398 N N 1.236 120.064 118.700 0.212 0.000 2.405 398 N HA 0.136 4.876 4.740 -0.000 0.000 0.269 398 N C 0.432 176.059 175.510 0.194 0.000 1.249 398 N CA -0.475 52.674 53.050 0.166 0.000 0.974 398 N CB 0.324 38.883 38.487 0.120 0.000 1.204 398 N HN 0.642 nan 8.380 nan 0.000 0.565 399 Q N -0.496 119.390 119.800 0.143 0.000 2.050 399 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 399 Q C 1.258 177.371 176.000 0.187 0.000 0.980 399 Q CA 1.478 57.359 55.803 0.129 0.000 0.840 399 Q CB -0.147 28.640 28.738 0.082 0.000 0.898 399 Q HN 0.686 nan 8.270 nan 0.000 0.424 400 E N 0.504 120.841 120.200 0.229 0.000 2.106 400 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 400 E C 2.060 178.966 176.600 0.510 0.000 0.984 400 E CA 0.690 57.325 56.400 0.391 0.000 0.806 400 E CB 0.060 29.956 29.700 0.326 0.000 0.750 400 E HN 0.390 nan 8.360 nan 0.000 0.458 401 Q N 0.577 120.641 119.800 0.441 0.000 2.084 401 Q HA -0.233 4.107 4.340 -0.000 0.000 0.202 401 Q C 2.241 178.466 176.000 0.375 0.000 0.978 401 Q CA 1.504 57.575 55.803 0.446 0.000 0.844 401 Q CB -0.098 28.909 28.738 0.448 0.000 0.898 401 Q HN 0.254 nan 8.270 nan 0.000 0.426 402 Q N 0.428 120.415 119.800 0.311 0.000 2.050 402 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 402 Q C 2.070 178.107 176.000 0.061 0.000 0.980 402 Q CA 1.211 57.055 55.803 0.069 0.000 0.840 402 Q CB -0.105 28.635 28.738 0.004 0.000 0.898 402 Q HN 0.321 nan 8.270 nan 0.000 0.424 403 L N 0.262 121.578 121.223 0.155 0.000 2.083 403 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 403 L C 2.307 179.325 176.870 0.248 0.000 1.083 403 L CA 1.830 56.783 54.840 0.188 0.000 0.752 403 L CB -0.571 41.626 42.059 0.230 0.000 0.899 403 L HN 0.427 nan 8.230 nan 0.000 0.433 404 M N -0.681 119.046 119.600 0.211 0.000 2.086 404 M HA -0.236 4.244 4.480 -0.000 0.000 0.261 404 M C 2.326 178.570 176.300 -0.095 0.000 1.067 404 M CA 2.381 57.572 55.300 -0.182 0.000 1.116 404 M CB -0.572 31.664 32.600 -0.607 0.000 1.348 404 M HN 0.441 nan 8.290 nan 0.000 0.407 405 M N -0.359 119.238 119.600 -0.006 0.000 2.108 405 M HA -0.118 4.362 4.480 -0.000 0.000 0.261 405 M C 1.946 178.256 176.300 0.018 0.000 1.066 405 M CA 2.225 57.541 55.300 0.027 0.000 1.107 405 M CB -0.365 32.259 32.600 0.040 0.000 1.356 405 M HN 0.335 nan 8.290 nan 0.000 0.406 406 A N -0.529 122.293 122.820 0.003 0.000 1.902 406 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 406 A C 2.119 179.727 177.584 0.039 0.000 1.181 406 A CA 2.223 54.260 52.037 0.001 0.000 0.623 406 A CB -1.322 17.663 19.000 -0.025 0.000 0.818 406 A HN 0.597 nan 8.150 nan 0.000 0.443 407 T N 0.678 115.284 114.554 0.086 0.000 2.708 407 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 407 T C 1.815 176.651 174.700 0.227 0.000 1.037 407 T CA 1.489 63.692 62.100 0.171 0.000 1.146 407 T CB -0.429 68.593 68.868 0.257 0.000 0.865 407 T HN 0.388 nan 8.240 nan 0.000 0.435 408 L N 0.719 122.033 121.223 0.152 0.000 2.042 408 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 408 L C 2.653 179.645 176.870 0.203 0.000 1.076 408 L CA 0.998 55.946 54.840 0.180 0.000 0.749 408 L CB -0.823 41.291 42.059 0.091 0.000 0.893 408 L HN 0.152 nan 8.230 nan 0.000 0.432 409 V N -0.256 119.752 119.914 0.157 0.000 2.427 409 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 409 V C 2.658 178.907 176.094 0.258 0.000 1.051 409 V CA 1.568 64.001 62.300 0.221 0.000 1.048 409 V CB -0.604 31.302 31.823 0.138 0.000 0.666 409 V HN 0.417 nan 8.190 nan 0.000 0.456 410 R N -0.647 119.884 120.500 0.053 0.000 2.139 410 R HA -0.186 4.154 4.340 -0.000 0.000 0.243 410 R C 1.481 177.636 176.300 -0.242 0.000 1.145 410 R CA 1.893 57.883 56.100 -0.183 0.000 0.976 410 R CB -0.162 29.876 30.300 -0.437 0.000 0.866 410 R HN 0.620 nan 8.270 nan 0.000 0.449 411 Y N -0.388 119.997 120.300 0.142 0.000 2.658 411 Y HA 0.084 4.634 4.550 -0.000 0.000 0.276 411 Y C 1.370 177.284 175.900 0.023 0.000 1.167 411 Y CA -0.276 57.865 58.100 0.068 0.000 1.230 411 Y CB 0.275 38.782 38.460 0.079 0.000 1.144 411 Y HN 0.275 nan 8.280 nan 0.000 0.529 412 H N 0.739 119.871 119.070 0.103 0.000 2.555 412 H HA 0.167 4.723 4.556 -0.000 0.000 0.269 412 H C 0.200 175.514 175.328 -0.023 0.000 0.988 412 H CA 0.374 56.456 56.048 0.057 0.000 1.178 412 H CB 0.397 30.198 29.762 0.065 0.000 1.373 412 H HN 0.377 nan 8.280 nan 0.000 0.588 413 R N -0.707 119.497 120.500 -0.492 0.000 2.716 413 R HA 0.315 4.655 4.340 -0.000 0.000 0.271 413 R C -0.934 174.933 176.300 -0.723 0.000 1.028 413 R CA -0.998 54.811 56.100 -0.484 0.000 0.883 413 R CB 1.384 31.402 30.300 -0.470 0.000 1.250 413 R HN -0.074 nan 8.270 nan 0.000 0.465 414 K N -0.947 119.120 120.400 -0.556 0.000 1.158 414 K HA -0.211 4.109 4.320 -0.000 0.000 0.761 414 K C -0.373 175.630 176.600 -0.995 0.000 1.935 414 K CA 1.143 57.042 56.287 -0.645 0.000 1.254 414 K CB -1.560 30.717 32.500 -0.371 0.000 2.305 414 K HN 1.015 nan 8.250 nan 0.000 0.429 415 A N 0.766 123.188 122.820 -0.664 0.000 2.540 415 A HA 0.340 4.660 4.320 -0.000 0.000 0.239 415 A C 0.434 177.884 177.584 -0.223 0.000 1.061 415 A CA 0.502 52.291 52.037 -0.413 0.000 0.758 415 A CB -0.175 18.802 19.000 -0.039 0.000 0.991 415 A HN 0.508 nan 8.150 nan 0.000 0.502 416 I N 2.594 123.068 120.570 -0.161 0.000 2.447 416 I HA 0.532 4.702 4.170 -0.000 0.000 0.287 416 I C -0.593 175.447 176.117 -0.129 0.000 1.023 416 I CA -0.686 60.562 61.300 -0.086 0.000 1.083 416 I CB 1.303 39.227 38.000 -0.126 0.000 1.245 416 I HN 0.768 nan 8.210 nan 0.000 0.434 417 K N 7.005 127.356 120.400 -0.083 0.000 2.443 417 K HA 0.442 4.762 4.320 -0.000 0.000 0.252 417 K C -1.188 175.324 176.600 -0.147 0.000 0.933 417 K CA -0.847 55.368 56.287 -0.120 0.000 0.792 417 K CB 2.223 34.698 32.500 -0.041 0.000 1.185 417 K HN 0.615 nan 8.250 nan 0.000 0.425 418 L N 2.405 123.474 121.223 -0.258 0.000 2.984 418 L HA 0.105 4.445 4.340 -0.000 0.000 0.246 418 L C 0.246 177.047 176.870 -0.116 0.000 1.268 418 L CA -0.239 54.428 54.840 -0.288 0.000 1.054 418 L CB -0.033 41.771 42.059 -0.425 0.000 1.393 418 L HN 0.696 nan 8.230 nan 0.000 0.532 419 D N 0.504 120.873 120.400 -0.051 0.000 2.144 419 D HA -0.163 4.477 4.640 -0.000 0.000 0.199 419 D C 0.994 177.309 176.300 0.026 0.000 0.984 419 D CA 1.356 55.347 54.000 -0.015 0.000 0.834 419 D CB 0.209 41.008 40.800 -0.002 0.000 0.955 419 D HN 0.288 nan 8.370 nan 0.000 0.465 420 D N 0.141 120.587 120.400 0.076 0.000 2.388 420 D HA 0.082 4.722 4.640 -0.000 0.000 0.221 420 D C 0.521 176.907 176.300 0.144 0.000 1.133 420 D CA -0.208 53.852 54.000 0.099 0.000 0.831 420 D CB 0.388 41.248 40.800 0.099 0.000 0.962 420 D HN 0.187 nan 8.370 nan 0.000 0.502 421 L N 2.428 123.741 121.223 0.149 0.000 2.559 421 L HA 0.062 4.402 4.340 -0.000 0.000 0.274 421 L C -1.807 175.157 176.870 0.156 0.000 1.205 421 L CA -0.894 54.074 54.840 0.214 0.000 0.907 421 L CB 0.384 42.551 42.059 0.181 0.000 1.153 421 L HN -0.211 nan 8.230 nan 0.000 0.490 422 P HA 0.233 nan 4.420 nan 0.000 0.272 422 P C -0.398 176.791 177.300 -0.186 0.000 1.230 422 P CA -0.323 62.700 63.100 -0.128 0.000 0.788 422 P CB 0.458 31.952 31.700 -0.343 0.000 0.949 423 R N 1.109 121.455 120.500 -0.257 0.000 2.459 423 R HA 0.625 4.965 4.340 -0.000 0.000 0.281 423 R C -0.667 175.387 176.300 -0.410 0.000 1.050 423 R CA -0.172 55.853 56.100 -0.124 0.000 1.055 423 R CB -0.257 30.014 30.300 -0.049 0.000 1.045 423 R HN 0.494 nan 8.270 nan 0.000 0.495 424 F N -0.253 119.764 119.950 0.112 0.000 2.556 424 F HA 0.355 4.882 4.527 -0.000 0.000 0.314 424 F C 1.661 177.478 175.800 0.028 0.000 1.106 424 F CA -0.177 57.869 58.000 0.077 0.000 0.911 424 F CB 3.082 42.173 39.000 0.152 0.000 1.190 424 F HN 0.697 nan 8.300 nan 0.000 0.448 425 T N -1.344 113.281 114.554 0.120 0.000 3.014 425 T HA 0.045 4.395 4.350 -0.000 0.000 0.263 425 T C 1.376 176.041 174.700 -0.059 0.000 1.078 425 T CA 0.903 63.020 62.100 0.030 0.000 1.135 425 T CB -0.132 68.735 68.868 -0.002 0.000 0.895 425 T HN 0.556 nan 8.240 nan 0.000 0.480 426 L N -1.010 120.080 121.223 -0.222 0.000 2.477 426 L HA 0.430 4.770 4.340 -0.000 0.000 0.220 426 L C -0.105 176.336 176.870 -0.714 0.000 1.106 426 L CA 0.123 54.616 54.840 -0.578 0.000 0.851 426 L CB 0.004 41.486 42.059 -0.961 0.000 0.994 426 L HN 0.215 nan 8.230 nan 0.000 0.462 427 F N -0.634 119.376 119.950 0.100 0.000 2.576 427 F HA 0.472 4.999 4.527 -0.000 0.000 0.313 427 F C 0.007 175.956 175.800 0.250 0.000 1.078 427 F CA -1.008 57.038 58.000 0.077 0.000 0.921 427 F CB 1.631 40.541 39.000 -0.149 0.000 1.232 427 F HN -0.330 nan 8.300 nan 0.000 0.459 428 K N 1.423 122.101 120.400 0.464 0.000 2.156 428 K HA 0.377 4.697 4.320 -0.000 0.000 0.254 428 K C 0.363 177.154 176.600 0.318 0.000 0.950 428 K CA -0.955 55.553 56.287 0.368 0.000 0.849 428 K CB 2.189 34.817 32.500 0.214 0.000 1.100 428 K HN 0.577 nan 8.250 nan 0.000 0.434 429 K N 1.378 121.840 120.400 0.103 0.000 2.113 429 K HA -0.214 4.106 4.320 -0.000 0.000 0.208 429 K C 1.287 177.683 176.600 -0.340 0.000 1.047 429 K CA 1.685 57.698 56.287 -0.457 0.000 0.928 429 K CB -0.003 32.349 32.500 -0.247 0.000 0.716 429 K HN 0.364 nan 8.250 nan 0.000 0.446 430 K N 0.847 121.215 120.400 -0.054 0.000 2.280 430 K HA -0.170 4.150 4.320 -0.000 0.000 0.202 430 K C 2.028 178.709 176.600 0.135 0.000 1.047 430 K CA 1.336 57.648 56.287 0.042 0.000 0.942 430 K CB 0.063 32.617 32.500 0.091 0.000 0.739 430 K HN 0.268 nan 8.250 nan 0.000 0.457 431 Q N -0.810 119.094 119.800 0.173 0.000 2.250 431 Q HA -0.025 4.315 4.340 -0.000 0.000 0.200 431 Q C 1.548 177.693 176.000 0.242 0.000 0.941 431 Q CA 0.901 56.900 55.803 0.326 0.000 0.872 431 Q CB 0.169 29.158 28.738 0.418 0.000 0.965 431 Q HN 0.474 nan 8.270 nan 0.000 0.480 432 F N -2.146 117.842 119.950 0.063 0.000 2.712 432 F HA 0.319 4.846 4.527 -0.000 0.000 0.297 432 F C 1.413 177.175 175.800 -0.063 0.000 1.114 432 F CA -0.252 57.716 58.000 -0.052 0.000 1.305 432 F CB -0.295 38.611 39.000 -0.158 0.000 1.086 432 F HN -0.177 nan 8.300 nan 0.000 0.599 433 L N 1.198 122.120 121.223 -0.501 0.000 2.042 433 L HA -0.092 4.248 4.340 -0.000 0.000 0.210 433 L C -0.503 176.215 176.870 -0.254 0.000 1.076 433 L CA 1.572 56.252 54.840 -0.265 0.000 0.749 433 L CB -1.985 39.960 42.059 -0.189 0.000 0.893 433 L HN 0.140 nan 8.230 nan 0.000 0.432 434 P HA -0.138 nan 4.420 nan 0.000 0.222 434 P C 1.772 178.809 177.300 -0.438 0.000 1.147 434 P CA 1.145 63.965 63.100 -0.466 0.000 0.790 434 P CB 0.068 31.447 31.700 -0.534 0.000 0.780 435 L N -1.664 119.376 121.223 -0.305 0.000 2.156 435 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 435 L C 2.328 179.158 176.870 -0.068 0.000 1.095 435 L CA 1.112 55.861 54.840 -0.152 0.000 0.770 435 L CB -0.783 41.245 42.059 -0.051 0.000 0.914 435 L HN -0.049 nan 8.230 nan 0.000 0.439 436 I N -0.273 120.267 120.570 -0.051 0.000 2.202 436 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 436 I C 2.641 178.698 176.117 -0.101 0.000 1.091 436 I CA 1.307 62.620 61.300 0.022 0.000 1.368 436 I CB -0.274 37.808 38.000 0.138 0.000 1.058 436 I HN 0.341 nan 8.210 nan 0.000 0.410 437 Q N 0.604 120.141 119.800 -0.438 0.000 2.061 437 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 437 Q C 2.369 178.335 176.000 -0.057 0.000 0.984 437 Q CA 1.527 56.950 55.803 -0.634 0.000 0.846 437 Q CB -0.198 27.569 28.738 -1.619 0.000 0.902 437 Q HN 0.504 nan 8.270 nan 0.000 0.421 438 L N -0.087 121.163 121.223 0.045 0.000 2.056 438 L HA -0.198 4.142 4.340 -0.000 0.000 0.207 438 L C 2.334 179.275 176.870 0.118 0.000 1.078 438 L CA 0.539 55.492 54.840 0.189 0.000 0.749 438 L CB -0.397 41.741 42.059 0.132 0.000 0.901 438 L HN 0.248 nan 8.230 nan 0.000 0.433 439 L N -0.172 121.090 121.223 0.064 0.000 2.046 439 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 439 L C 2.720 179.638 176.870 0.080 0.000 1.077 439 L CA 1.635 56.502 54.840 0.044 0.000 0.747 439 L CB -0.496 41.586 42.059 0.039 0.000 0.896 439 L HN 0.081 nan 8.230 nan 0.000 0.432 440 R N -0.792 119.792 120.500 0.139 0.000 2.091 440 R HA -0.159 4.181 4.340 -0.000 0.000 0.238 440 R C 2.251 178.671 176.300 0.200 0.000 1.136 440 R CA 1.882 58.100 56.100 0.196 0.000 0.959 440 R CB -0.596 29.861 30.300 0.262 0.000 0.856 440 R HN 0.392 nan 8.270 nan 0.000 0.437 441 L N -0.716 120.637 121.223 0.217 0.000 2.056 441 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 441 L C 2.605 179.564 176.870 0.148 0.000 1.078 441 L CA 1.321 56.281 54.840 0.201 0.000 0.749 441 L CB -0.763 41.438 42.059 0.237 0.000 0.901 441 L HN 0.358 nan 8.230 nan 0.000 0.433 442 G N -0.409 108.455 108.800 0.108 0.000 2.422 442 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.218 442 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.218 442 G C 1.581 176.502 174.900 0.035 0.000 1.146 442 G CA 0.908 46.044 45.100 0.059 0.000 0.769 442 G HN 0.180 nan 8.290 nan 0.000 0.547 443 V N 1.078 120.996 119.914 0.006 0.000 2.283 443 V HA -0.078 4.042 4.120 -0.000 0.000 0.243 443 V C 2.648 178.810 176.094 0.114 0.000 1.039 443 V CA 1.543 63.837 62.300 -0.010 0.000 1.016 443 V CB -0.477 31.328 31.823 -0.030 0.000 0.650 443 V HN 0.450 nan 8.190 nan 0.000 0.449 444 L N -0.353 120.958 121.223 0.146 0.000 2.042 444 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 444 L C 2.223 179.197 176.870 0.173 0.000 1.076 444 L CA 1.872 56.813 54.840 0.168 0.000 0.749 444 L CB -0.249 41.915 42.059 0.174 0.000 0.893 444 L HN 0.266 nan 8.230 nan 0.000 0.432 445 L N 0.175 121.505 121.223 0.178 0.000 2.456 445 L HA -0.094 4.246 4.340 -0.000 0.000 0.224 445 L C 1.320 178.305 176.870 0.191 0.000 1.148 445 L CA 0.439 55.406 54.840 0.212 0.000 0.825 445 L CB -0.402 41.784 42.059 0.212 0.000 0.937 445 L HN 0.405 nan 8.230 nan 0.000 0.450 446 N N -0.664 118.132 118.700 0.159 0.000 2.234 446 N HA 0.037 4.777 4.740 -0.000 0.000 0.227 446 N C 0.749 176.351 175.510 0.152 0.000 1.151 446 N CA -0.038 53.101 53.050 0.149 0.000 0.865 446 N CB 0.286 38.852 38.487 0.132 0.000 1.066 446 N HN 0.227 nan 8.380 nan 0.000 0.515 447 N N 1.471 120.265 118.700 0.157 0.000 2.137 447 N HA -0.164 4.576 4.740 -0.000 0.000 0.190 447 N C 1.195 176.775 175.510 0.118 0.000 1.017 447 N CA 1.185 54.325 53.050 0.149 0.000 0.859 447 N CB -0.004 38.567 38.487 0.140 0.000 1.002 447 N HN 0.472 nan 8.380 nan 0.000 0.428 448 Q N 0.303 120.167 119.800 0.107 0.000 2.482 448 Q HA 0.103 4.443 4.340 -0.000 0.000 0.209 448 Q C 0.269 176.315 176.000 0.077 0.000 0.961 448 Q CA -0.116 55.735 55.803 0.081 0.000 0.945 448 Q CB 0.306 29.087 28.738 0.072 0.000 1.012 448 Q HN 0.263 nan 8.270 nan 0.000 0.515 449 R N -0.580 119.976 120.500 0.094 0.000 3.934 449 R HA -0.351 3.989 4.340 -0.000 0.000 0.384 449 R C 1.300 177.647 176.300 0.078 0.000 0.241 449 R CA 1.921 58.074 56.100 0.089 0.000 1.241 449 R CB -1.313 29.033 30.300 0.076 0.000 0.999 449 R HN 0.277 nan 8.270 nan 0.000 0.562 450 Q N 0.468 120.306 119.800 0.063 0.000 2.291 450 Q HA 0.002 4.342 4.340 -0.000 0.000 0.206 450 Q C 1.843 177.874 176.000 0.052 0.000 0.976 450 Q CA 1.345 57.182 55.803 0.056 0.000 0.875 450 Q CB 0.056 28.822 28.738 0.046 0.000 0.927 450 Q HN 0.571 nan 8.270 nan 0.000 0.450 451 A N 0.535 123.385 122.820 0.050 0.000 2.238 451 A HA 0.033 4.353 4.320 -0.000 0.000 0.208 451 A C 0.743 178.361 177.584 0.056 0.000 1.177 451 A CA 0.064 52.127 52.037 0.043 0.000 0.804 451 A CB -0.002 19.017 19.000 0.030 0.000 0.823 451 A HN 0.098 nan 8.150 nan 0.000 0.482 452 T N 2.151 116.752 114.554 0.079 0.000 2.867 452 T HA 0.216 4.566 4.350 -0.000 0.000 0.297 452 T C 0.195 174.969 174.700 0.123 0.000 0.989 452 T CA 0.749 62.916 62.100 0.112 0.000 1.159 452 T CB 0.278 69.223 68.868 0.127 0.000 0.928 452 T HN 0.272 nan 8.240 nan 0.000 0.538 453 T N 4.491 119.140 114.554 0.159 0.000 2.744 453 T HA 0.307 4.657 4.350 -0.000 0.000 0.291 453 T C 0.445 175.361 174.700 0.361 0.000 0.957 453 T CA -0.521 61.702 62.100 0.205 0.000 1.002 453 T CB 0.608 69.548 68.868 0.120 0.000 0.919 453 T HN 0.495 nan 8.240 nan 0.000 0.468 454 T N 7.004 121.715 114.554 0.262 0.000 2.743 454 T HA 0.374 4.724 4.350 -0.000 0.000 0.293 454 T C -2.128 172.676 174.700 0.173 0.000 0.945 454 T CA -1.253 60.964 62.100 0.195 0.000 1.030 454 T CB 0.787 69.717 68.868 0.104 0.000 0.912 454 T HN 0.370 nan 8.240 nan 0.000 0.483 455 P HA 0.207 nan 4.420 nan 0.000 0.271 455 P C -2.125 175.088 177.300 -0.145 0.000 1.216 455 P CA -1.399 61.528 63.100 -0.289 0.000 0.771 455 P CB 0.462 31.620 31.700 -0.904 0.000 0.864 456 P HA -0.069 nan 4.420 nan 0.000 0.219 456 P C 0.310 177.552 177.300 -0.097 0.000 1.146 456 P CA 1.537 64.609 63.100 -0.046 0.000 0.808 456 P CB 0.019 31.716 31.700 -0.004 0.000 0.779 457 T N -3.094 111.360 114.554 -0.166 0.000 2.916 457 T HA 0.627 4.977 4.350 -0.000 0.000 0.305 457 T C -1.482 173.033 174.700 -0.309 0.000 1.119 457 T CA -0.925 61.064 62.100 -0.185 0.000 1.008 457 T CB 1.810 70.596 68.868 -0.137 0.000 1.129 457 T HN -0.139 nan 8.240 nan 0.000 0.480 458 L N 1.652 122.689 121.223 -0.310 0.000 2.596 458 L HA 0.594 4.934 4.340 -0.000 0.000 0.265 458 L C -0.797 175.872 176.870 -0.335 0.000 0.962 458 L CA -0.069 54.495 54.840 -0.459 0.000 0.891 458 L CB 1.891 43.637 42.059 -0.522 0.000 1.248 458 L HN 0.975 nan 8.230 nan 0.000 0.410 459 T N 5.381 119.746 114.554 -0.315 0.000 2.799 459 T HA 0.599 4.949 4.350 -0.000 0.000 0.286 459 T C -0.729 173.849 174.700 -0.204 0.000 0.973 459 T CA -0.189 61.785 62.100 -0.211 0.000 1.035 459 T CB 1.241 70.018 68.868 -0.152 0.000 0.932 459 T HN 0.481 nan 8.240 nan 0.000 0.469 460 L N 4.850 125.965 121.223 -0.181 0.000 2.305 460 L HA 0.674 5.014 4.340 -0.000 0.000 0.284 460 L C -1.414 175.343 176.870 -0.188 0.000 1.013 460 L CA -0.572 54.158 54.840 -0.183 0.000 0.819 460 L CB 0.568 42.487 42.059 -0.233 0.000 1.227 460 L HN 0.529 nan 8.230 nan 0.000 0.417 461 I N 4.147 124.632 120.570 -0.141 0.000 2.389 461 I HA 0.518 4.688 4.170 -0.000 0.000 0.288 461 I C 0.091 176.130 176.117 -0.130 0.000 0.999 461 I CA -0.169 61.059 61.300 -0.120 0.000 1.129 461 I CB 2.041 40.013 38.000 -0.048 0.000 1.288 461 I HN 0.709 nan 8.210 nan 0.000 0.444 462 T N 0.496 114.935 114.554 -0.191 0.000 2.855 462 T HA 0.634 4.984 4.350 -0.000 0.000 0.281 462 T C -0.802 173.911 174.700 0.021 0.000 1.007 462 T CA -0.711 61.300 62.100 -0.149 0.000 1.009 462 T CB 1.908 70.552 68.868 -0.373 0.000 0.983 462 T HN 0.487 nan 8.240 nan 0.000 0.455 463 D N 2.222 122.723 120.400 0.168 0.000 2.375 463 D HA 0.285 4.925 4.640 -0.000 0.000 0.259 463 D C 0.124 176.505 176.300 0.135 0.000 1.235 463 D CA 0.118 54.189 54.000 0.119 0.000 0.924 463 D CB 0.268 41.146 40.800 0.130 0.000 1.143 463 D HN 0.656 nan 8.370 nan 0.000 0.529 464 D N 1.363 121.831 120.400 0.113 0.000 3.608 464 D HA -0.229 4.411 4.640 -0.000 0.000 0.152 464 D C 0.295 176.769 176.300 0.290 0.000 0.971 464 D CA 1.223 55.297 54.000 0.123 0.000 1.072 464 D CB -1.024 39.768 40.800 -0.014 0.000 0.507 464 D HN 0.371 nan 8.370 nan 0.000 0.520 465 S N -0.060 115.730 115.700 0.149 0.000 2.614 465 S HA 0.074 4.544 4.470 -0.000 0.000 0.230 465 S C 0.057 174.794 174.600 0.229 0.000 0.952 465 S CA -0.136 58.094 58.200 0.050 0.000 0.949 465 S CB -0.240 62.895 63.200 -0.108 0.000 0.786 465 S HN 0.239 nan 8.310 nan 0.000 0.478 466 H N 0.781 120.033 119.070 0.304 0.000 2.741 466 H HA 0.162 4.718 4.556 -0.000 0.000 0.282 466 H C -1.001 174.636 175.328 0.516 0.000 1.122 466 H CA -0.718 55.524 56.048 0.324 0.000 1.293 466 H CB 0.349 30.245 29.762 0.223 0.000 1.415 466 H HN 0.257 nan 8.280 nan 0.000 0.472 467 W N 1.990 123.470 121.300 0.299 0.000 2.570 467 W HA 0.296 4.956 4.660 -0.000 0.000 0.337 467 W C 0.023 176.592 176.519 0.084 0.000 1.067 467 W CA -0.840 56.616 57.345 0.186 0.000 1.229 467 W CB 1.590 31.189 29.460 0.231 0.000 1.355 467 W HN 0.281 nan 8.180 nan 0.000 0.555 468 T N 3.896 118.597 114.554 0.245 0.000 2.824 468 T HA 0.584 4.934 4.350 -0.000 0.000 0.282 468 T C -0.597 174.149 174.700 0.078 0.000 0.993 468 T CA -0.591 61.587 62.100 0.130 0.000 0.967 468 T CB 0.771 69.692 68.868 0.089 0.000 0.960 468 T HN 0.070 nan 8.240 nan 0.000 0.441 469 L N 3.386 124.660 121.223 0.086 0.000 2.305 469 L HA 0.570 4.910 4.340 -0.000 0.000 0.284 469 L C 0.257 177.156 176.870 0.048 0.000 1.013 469 L CA -0.728 54.118 54.840 0.010 0.000 0.819 469 L CB 1.453 43.560 42.059 0.080 0.000 1.227 469 L HN 0.371 nan 8.230 nan 0.000 0.417 470 R N 3.306 123.741 120.500 -0.109 0.000 2.310 470 R HA 0.506 4.846 4.340 -0.000 0.000 0.324 470 R C -1.191 175.000 176.300 -0.182 0.000 0.955 470 R CA -0.468 55.627 56.100 -0.009 0.000 0.830 470 R CB 0.885 31.179 30.300 -0.010 0.000 1.154 470 R HN 0.278 nan 8.270 nan 0.000 0.458 471 F N 4.737 124.667 119.950 -0.033 0.000 2.411 471 F HA 0.479 5.006 4.527 -0.000 0.000 0.324 471 F C -1.581 174.145 175.800 -0.124 0.000 1.086 471 F CA -2.480 55.397 58.000 -0.205 0.000 1.028 471 F CB 0.673 39.471 39.000 -0.336 0.000 1.284 471 F HN 0.444 nan 8.300 nan 0.000 0.501 472 P HA -0.024 nan 4.420 nan 0.000 0.270 472 P C -0.954 176.460 177.300 0.190 0.000 1.223 472 P CA 0.022 63.170 63.100 0.081 0.000 0.785 472 P CB 0.176 31.912 31.700 0.060 0.000 0.923 473 H N 2.057 121.188 119.070 0.101 0.000 3.125 473 H HA -0.055 4.501 4.556 -0.000 0.000 0.310 473 H C 0.614 176.017 175.328 0.124 0.000 0.980 473 H CA 1.348 57.459 56.048 0.105 0.000 1.422 473 H CB -0.538 29.265 29.762 0.070 0.000 1.432 473 H HN 0.422 nan 8.280 nan 0.000 0.577 474 D N 2.351 122.491 120.400 -0.434 0.000 3.039 474 D HA -0.265 4.375 4.640 -0.000 0.000 0.222 474 D C 0.766 177.007 176.300 -0.098 0.000 1.179 474 D CA 1.242 55.041 54.000 -0.335 0.000 0.880 474 D CB -1.523 38.968 40.800 -0.516 0.000 1.115 474 D HN 0.778 nan 8.370 nan 0.000 0.416 475 W N -0.124 121.049 121.300 -0.211 0.000 2.338 475 W HA -0.110 4.550 4.660 -0.000 0.000 0.304 475 W C 2.018 178.327 176.519 -0.350 0.000 1.212 475 W CA 1.726 58.895 57.345 -0.293 0.000 1.264 475 W CB -0.764 28.467 29.460 -0.381 0.000 1.142 475 W HN 0.187 nan 8.180 nan 0.000 0.512 476 F N 0.626 120.557 119.950 -0.032 0.000 2.604 476 F HA -0.147 4.380 4.527 -0.000 0.000 0.298 476 F C 2.763 178.419 175.800 -0.241 0.000 1.131 476 F CA 1.188 59.062 58.000 -0.210 0.000 1.457 476 F CB -0.814 38.122 39.000 -0.107 0.000 1.095 476 F HN -0.082 nan 8.300 nan 0.000 0.574 477 S N -0.539 115.117 115.700 -0.073 0.000 2.419 477 S HA -0.180 4.290 4.470 -0.000 0.000 0.233 477 S C 1.639 176.146 174.600 -0.155 0.000 1.016 477 S CA 0.965 59.110 58.200 -0.091 0.000 0.974 477 S CB -0.170 62.977 63.200 -0.088 0.000 0.786 477 S HN 0.346 nan 8.310 nan 0.000 0.492 478 Q N 0.841 120.476 119.800 -0.274 0.000 2.219 478 Q HA 0.339 4.679 4.340 -0.000 0.000 0.209 478 Q C -0.302 175.462 176.000 -0.394 0.000 0.854 478 Q CA 0.064 55.690 55.803 -0.296 0.000 0.960 478 Q CB 0.339 28.899 28.738 -0.298 0.000 1.116 478 Q HN 0.628 nan 8.270 nan 0.000 0.500 479 N N -0.191 118.235 118.700 -0.456 0.000 2.646 479 N HA 0.216 4.956 4.740 -0.000 0.000 0.303 479 N C 0.306 175.734 175.510 -0.138 0.000 1.921 479 N CA 0.124 52.896 53.050 -0.464 0.000 0.872 479 N CB 1.357 39.141 38.487 -1.172 0.000 1.327 479 N HN 0.024 nan 8.380 nan 0.000 0.492 480 A N 0.423 123.188 122.820 -0.093 0.000 1.933 480 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 480 A C 2.122 179.685 177.584 -0.036 0.000 1.175 480 A CA 0.946 52.958 52.037 -0.042 0.000 0.628 480 A CB -0.250 18.717 19.000 -0.055 0.000 0.814 480 A HN 0.342 nan 8.150 nan 0.000 0.444 481 L N -0.469 120.735 121.223 -0.032 0.000 2.093 481 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 481 L C 2.470 179.351 176.870 0.018 0.000 1.085 481 L CA 1.011 55.844 54.840 -0.012 0.000 0.755 481 L CB -0.743 41.313 42.059 -0.004 0.000 0.904 481 L HN 0.243 nan 8.230 nan 0.000 0.435 482 V N 0.013 119.965 119.914 0.063 0.000 2.343 482 V HA -0.290 3.829 4.120 -0.000 0.000 0.247 482 V C 2.442 178.582 176.094 0.077 0.000 1.051 482 V CA 1.542 63.936 62.300 0.157 0.000 1.036 482 V CB -0.505 31.518 31.823 0.333 0.000 0.654 482 V HN 0.309 nan 8.190 nan 0.000 0.451 483 L N -0.215 120.983 121.223 -0.042 0.000 2.046 483 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 483 L C 2.210 178.937 176.870 -0.239 0.000 1.077 483 L CA 1.819 56.412 54.840 -0.410 0.000 0.747 483 L CB -0.678 41.022 42.059 -0.600 0.000 0.896 483 L HN 0.213 nan 8.230 nan 0.000 0.432 484 L N -0.742 120.401 121.223 -0.134 0.000 2.042 484 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 484 L C 2.242 179.066 176.870 -0.077 0.000 1.076 484 L CA 1.427 56.207 54.840 -0.100 0.000 0.749 484 L CB -0.868 41.153 42.059 -0.064 0.000 0.893 484 L HN 0.291 nan 8.230 nan 0.000 0.432 485 D N 0.052 120.433 120.400 -0.033 0.000 2.144 485 D HA -0.136 4.504 4.640 -0.000 0.000 0.199 485 D C 2.390 178.682 176.300 -0.014 0.000 0.984 485 D CA 1.126 55.130 54.000 0.008 0.000 0.834 485 D CB -0.085 40.756 40.800 0.069 0.000 0.955 485 D HN 0.293 nan 8.370 nan 0.000 0.465 486 L N 0.706 121.897 121.223 -0.053 0.000 2.109 486 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 486 L C 2.296 179.078 176.870 -0.147 0.000 1.086 486 L CA 0.992 55.779 54.840 -0.088 0.000 0.760 486 L CB -0.230 41.756 42.059 -0.121 0.000 0.910 486 L HN -0.027 nan 8.230 nan 0.000 0.437 487 E N -0.082 120.019 120.200 -0.166 0.000 2.106 487 E HA -0.258 4.092 4.350 -0.000 0.000 0.192 487 E C 2.010 178.510 176.600 -0.167 0.000 0.984 487 E CA 0.903 57.203 56.400 -0.166 0.000 0.806 487 E CB 0.061 29.665 29.700 -0.160 0.000 0.750 487 E HN 0.162 nan 8.360 nan 0.000 0.458 488 K N 1.561 121.859 120.400 -0.169 0.000 2.057 488 K HA -0.205 4.115 4.320 -0.000 0.000 0.206 488 K C 1.934 178.349 176.600 -0.309 0.000 1.050 488 K CA 1.502 57.627 56.287 -0.269 0.000 0.935 488 K CB -0.089 32.273 32.500 -0.230 0.000 0.715 488 K HN -0.085 nan 8.250 nan 0.000 0.439 489 E N 0.634 120.771 120.200 -0.105 0.000 2.110 489 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 489 E C 1.883 178.421 176.600 -0.104 0.000 0.988 489 E CA 1.605 58.029 56.400 0.039 0.000 0.804 489 E CB -0.091 29.610 29.700 0.001 0.000 0.745 489 E HN 0.447 nan 8.360 nan 0.000 0.458 490 Q N -0.000 119.675 119.800 -0.208 0.000 2.096 490 Q HA -0.234 4.106 4.340 -0.000 0.000 0.204 490 Q C 2.226 178.212 176.000 -0.022 0.000 0.982 490 Q CA 1.744 57.439 55.803 -0.180 0.000 0.850 490 Q CB -0.252 28.390 28.738 -0.159 0.000 0.901 490 Q HN 0.469 nan 8.270 nan 0.000 0.422 491 E N 0.153 120.309 120.200 -0.072 0.000 2.110 491 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 491 E C 1.603 178.257 176.600 0.090 0.000 0.988 491 E CA 0.911 57.283 56.400 -0.046 0.000 0.804 491 E CB -0.137 29.466 29.700 -0.161 0.000 0.745 491 E HN 0.503 nan 8.360 nan 0.000 0.458 492 Y N -1.114 119.272 120.300 0.142 0.000 2.181 492 Y HA -0.226 4.324 4.550 -0.000 0.000 0.288 492 Y C 1.938 178.030 175.900 0.319 0.000 1.146 492 Y CA 0.544 58.767 58.100 0.206 0.000 1.164 492 Y CB -0.154 38.454 38.460 0.246 0.000 0.982 492 Y HN 0.233 nan 8.280 nan 0.000 0.515 493 W N 0.628 122.078 121.300 0.249 0.000 2.465 493 W HA -0.091 4.569 4.660 -0.000 0.000 0.268 493 W C 1.867 178.466 176.519 0.134 0.000 1.242 493 W CA 0.639 58.133 57.345 0.248 0.000 1.248 493 W CB -0.758 28.861 29.460 0.264 0.000 1.118 493 W HN 0.203 nan 8.180 nan 0.000 0.587 494 E N -0.960 119.416 120.200 0.293 0.000 2.338 494 E HA -0.081 4.269 4.350 -0.000 0.000 0.197 494 E C 2.384 179.038 176.600 0.090 0.000 1.007 494 E CA 1.004 57.499 56.400 0.158 0.000 0.849 494 E CB -0.443 29.316 29.700 0.098 0.000 0.774 494 E HN 0.288 nan 8.360 nan 0.000 0.506 495 G N 0.617 109.466 108.800 0.082 0.000 2.551 495 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.216 495 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.216 495 G C 0.621 175.456 174.900 -0.108 0.000 1.137 495 G CA -0.071 45.031 45.100 0.003 0.000 0.798 495 G HN 0.011 nan 8.290 nan 0.000 0.536 496 V N 1.870 121.668 119.914 -0.193 0.000 2.348 496 V HA 0.608 4.728 4.120 -0.000 0.000 0.270 496 V C 0.684 176.584 176.094 -0.323 0.000 1.037 496 V CA -1.267 60.749 62.300 -0.473 0.000 0.872 496 V CB 0.624 31.800 31.823 -1.078 0.000 1.002 496 V HN 0.377 nan 8.190 nan 0.000 0.464 497 A N 4.265 126.933 122.820 -0.252 0.000 2.546 497 A HA 0.493 4.813 4.320 -0.000 0.000 0.243 497 A C 1.595 179.148 177.584 -0.050 0.000 1.063 497 A CA 0.819 52.792 52.037 -0.106 0.000 0.757 497 A CB -0.445 18.502 19.000 -0.087 0.000 0.991 497 A HN 2.066 nan 8.150 nan 0.000 0.503 498 G N 1.197 110.059 108.800 0.104 0.000 2.268 498 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.240 498 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.240 498 G C -0.032 175.118 174.900 0.418 0.000 1.010 498 G CA 0.310 45.543 45.100 0.221 0.000 0.618 498 G HN 0.797 nan 8.290 nan 0.000 0.516 499 W N 1.374 122.680 121.300 0.011 0.000 2.315 499 W HA 0.837 5.497 4.660 -0.000 0.000 0.316 499 W C 0.809 177.475 176.519 0.244 0.000 1.211 499 W CA -0.948 56.397 57.345 -0.000 0.000 1.201 499 W CB 0.645 29.899 29.460 -0.343 0.000 1.184 499 W HN 0.321 nan 8.180 nan 0.000 0.544 500 R N 2.869 123.726 120.500 0.595 0.000 2.548 500 R HA 0.547 4.887 4.340 -0.000 0.000 0.280 500 R C -2.099 174.416 176.300 0.359 0.000 1.061 500 R CA -0.944 55.373 56.100 0.363 0.000 0.915 500 R CB 1.581 31.832 30.300 -0.082 0.000 1.210 500 R HN 0.431 nan 8.270 nan 0.000 0.442 501 L N 3.477 124.735 121.223 0.059 0.000 2.333 501 L HA 0.560 4.900 4.340 -0.000 0.000 0.280 501 L C -1.199 175.595 176.870 -0.128 0.000 1.004 501 L CA -0.158 54.521 54.840 -0.269 0.000 0.820 501 L CB 1.474 42.956 42.059 -0.963 0.000 1.247 501 L HN 0.611 nan 8.230 nan 0.000 0.416 502 K N 5.453 125.832 120.400 -0.035 0.000 2.270 502 K HA 0.602 4.922 4.320 -0.000 0.000 0.255 502 K C -1.426 175.191 176.600 0.028 0.000 0.936 502 K CA -0.756 55.530 56.287 -0.003 0.000 0.809 502 K CB 1.261 33.784 32.500 0.038 0.000 1.131 502 K HN 0.553 nan 8.250 nan 0.000 0.427 503 I N 3.458 124.044 120.570 0.026 0.000 2.354 503 I HA 0.362 4.532 4.170 -0.000 0.000 0.292 503 I C -0.110 176.088 176.117 0.136 0.000 0.989 503 I CA -0.429 60.934 61.300 0.104 0.000 1.188 503 I CB 1.378 39.369 38.000 -0.015 0.000 1.342 503 I HN 0.755 nan 8.210 nan 0.000 0.457 504 E N 4.215 124.564 120.200 0.248 0.000 2.410 504 E HA 0.608 4.958 4.350 -0.000 0.000 0.269 504 E C -1.045 175.764 176.600 0.349 0.000 0.937 504 E CA -0.849 55.686 56.400 0.224 0.000 0.793 504 E CB 2.825 32.613 29.700 0.146 0.000 1.314 504 E HN 0.470 nan 8.360 nan 0.000 0.447 505 E N 0.961 121.324 120.200 0.273 0.000 2.317 505 E HA 0.175 4.525 4.350 -0.000 0.000 0.270 505 E C -1.032 175.688 176.600 0.200 0.000 0.885 505 E CA -0.779 55.791 56.400 0.282 0.000 0.760 505 E CB 1.772 31.642 29.700 0.283 0.000 1.227 505 E HN 0.308 nan 8.360 nan 0.000 0.434 506 E N 1.208 121.517 120.200 0.181 0.000 2.437 506 E HA 0.023 4.373 4.350 -0.000 0.000 0.263 506 E C 0.120 176.841 176.600 0.201 0.000 1.030 506 E CA 0.070 56.559 56.400 0.148 0.000 0.934 506 E CB 0.670 30.441 29.700 0.118 0.000 0.943 506 E HN 0.525 nan 8.360 nan 0.000 0.444 507 S N 1.323 117.095 115.700 0.120 0.000 2.617 507 S HA 0.109 4.579 4.470 -0.000 0.000 0.259 507 S C 0.256 174.840 174.600 -0.027 0.000 1.301 507 S CA -0.755 57.506 58.200 0.100 0.000 0.984 507 S CB 0.354 63.580 63.200 0.044 0.000 0.954 507 S HN 0.383 nan 8.310 nan 0.000 0.572 508 T N 3.840 118.355 114.554 -0.065 0.000 2.800 508 T HA 0.168 4.518 4.350 -0.000 0.000 0.283 508 T C -1.737 172.820 174.700 -0.238 0.000 0.999 508 T CA -0.283 61.654 62.100 -0.271 0.000 1.176 508 T CB -0.716 68.108 68.868 -0.073 0.000 0.973 508 T HN 0.546 nan 8.240 nan 0.000 0.519 509 P HA 0.000 nan 4.420 nan 0.000 0.216 509 P CA 0.000 62.998 63.100 -0.169 0.000 0.800 509 P CB 0.000 31.603 31.700 -0.161 0.000 0.726